Mrv1652306131722052D          

 29 30  0  0  0  0            999 V2000
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <DATABASE_ID>
DB11269

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCCCOC(=O)C1=CC=CC=C1C(=O)C1=CC=C(C=C1O)N(CC)CC

> <INCHI_IDENTIFIER>
InChI=1S/C24H31NO4/c1-4-7-8-11-16-29-24(28)20-13-10-9-12-19(20)23(27)21-15-14-18(17-22(21)26)25(5-2)6-3/h9-10,12-15,17,26H,4-8,11,16H2,1-3H3

> <INCHI_KEY>
FDATWRLUYRHCJE-UHFFFAOYSA-N

> <FORMULA>
C24H31NO4

> <MOLECULAR_WEIGHT>
397.515

> <EXACT_MASS>
397.225308482

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
45.577185227499236

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate

> <ALOGPS_LOGP>
6.03

> <JCHEM_LOGP>
6.817206608333335

> <ALOGPS_LOGS>
-4.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.293078721382764

> <JCHEM_PKA_STRONGEST_BASIC>
3.3753438744906172

> <JCHEM_POLAR_SURFACE_AREA>
66.84

> <JCHEM_REFRACTIVITY>
117.6411

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.02e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11269

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Diethylamino hydroxybenzoyl hexyl benzoate

> <SYNONYMS>
Hexyl 2-(4-(diethylamino)-2-hydroxybenzoyl)benzoate

> <PRODUCTS>
Age 20s ESSENCE COVER PACT WHITE DARK BE-35; Age 20s ESSENCE COVER PACT WHITE DEEP BE-25; BRING GREEN Tea Tree CICA Cooling Sun; CC Cream SPF 50; Calming Days Vegan Sunscreen; D-one By Tamdoan Bb Light; D-one By Tamdoan Bb Medium; D-one By Tamdoan Sunscreen 50; Fascy Lab Green Plus Sun; Hydro Multi-shield; Kiehls Activated Sun Protector Sunscreen SPF 30 For Face and Body For All Skin Types; Kiehls Activated Sun Protector Sunscreen SPF 50 For Face and Body For All Skin Types; Kiehls Dermatologist Solutions Ultra Light Daily Uv Defense Sunscreen SPF 50 High Protection Anti-pollution Lightweight Formula for All Skin Types; Kiehls Since 1851 Dermatologist Solutions Ultra Light Daily UV Defense Tone Up SPF 50 PA Plus Plus Plus Plus Antipollution; Kiehls Ultra Light Daily UV Defense Aqua Gel SPF 50 Anti-Pollution; Kiehls Ultra Light Daily UV Defense CC SPF 50 Anti Pollution; MEDIKOii Bio-UV Protect Laser Master; Ohui Sunscience Luminous Whitening Sunblock; Ohui The First Cell Revolution Age Control Sun Block; P.CALM Water Barrier Suncream; PURITO Centella Green Level Safe Sun; Premium Ultra Uv Pure Sun; SPF 30; SUN PROJECT SILKY CALMING SUN stick; Sooryehan Hyo Fermented Sun Block; Sun Project Skin-relief Suncream; The History of Whoo Jin Hae Yoon Sun; Wonder Intensive BBCream 21 (Light); Xoul 60days sun; iUNIK Centella Calming Daily Sunscreen

> <INTERNATIONAL_BRANDS>
Uvinul A Plus

$$$$