Mrv1718010131811102D          

 22 22  0  0  0  0            999 V2000
   -3.2136   -1.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4995   -0.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571    0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3620    1.3894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0712    0.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4995    0.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7853   -1.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6314   -1.8072    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9326   -0.6849    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8056   -1.8072    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0712   -0.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7853    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3522    1.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4995    1.3991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0712    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2185    0.1603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571    0.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7804    1.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5044    0.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9326    0.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0712    0.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7902    0.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  2  0  0  0  0
  5 11  1  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  7  2  0  0  0  0
 12  6  1  0  0  0  0
 13  4  1  0  0  0  0
 14 18  1  0  0  0  0
 15 13  1  0  0  0  0
 16 19  1  0  0  0  0
 17  3  1  0  0  0  0
 18 15  1  0  0  0  0
 19 22  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
 12  5  2  0  0  0  0
M  END
> <DATABASE_ID>
DB00176

> <DATABASE_NAME>
drugbank

> <SMILES>
COCCCC\C(=N/OCCN)C1=CC=C(C=C1)C(F)(F)F

> <INCHI_IDENTIFIER>
InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+

> <INCHI_KEY>
CJOFXWAVKWHTFT-XSFVSMFZSA-N

> <FORMULA>
C15H21F3N2O2

> <MOLECULAR_WEIGHT>
318.34

> <EXACT_MASS>
318.155512413

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
32.43969539227251

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(E)-(2-aminoethoxy)({5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene})amine

> <ALOGPS_LOGP>
2.89

> <JCHEM_LOGP>
2.7953195803333326

> <ALOGPS_LOGS>
-4.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.863029671335692

> <JCHEM_POLAR_SURFACE_AREA>
56.84

> <JCHEM_REFRACTIVITY>
79.19710000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.34e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fluvoxamine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00176

> <SECONDARY_ACCESSION_NUMBERS>
APRD00425

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Fluvoxamine

> <SYNONYMS>
Fluvoxamina; Fluvoxamine; Fluvoxaminum

> <PRODUCTS>
Act Fluvoxamine; Apo-fluvoxamine; Ava-fluvoxamine; Bci Fluvoxamine Tablets; Dom-fluvoxamine; Fluvoxamine; Fluvoxamine Maleate; Fluvoxamine Tablets; Fluvoxamine maleate; Fluvoxamine-100; Fluvoxamine-50; Gen-fluvoxamine 100mg; Gen-fluvoxamine 50mg; Luvox; Luvox CR; Novo-fluvoxamine; PHL-fluvoxamine; PMS-fluvoxamine; Ratio-fluvoxamine; Riva-fluvox; Riva-fluvox 100mg Tablets; Riva-fluvox 50mg Tablets; Sandoz Fluvoxamine

> <INTERNATIONAL_BRANDS>
Dumirox; Faverin; Fevarin; Floxyfral; Maveral

> <SALTS>
Fluvoxamine maleate

$$$$