Mrv1902 01271922112D          

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    0.7698   -0.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9133    0.5081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1988   -0.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
DB04930

> <DATABASE_NAME>
drugbank

> <SMILES>
CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3

> <INCHI_KEY>
RLLPVAHGXHCWKJ-UHFFFAOYSA-N

> <FORMULA>
C21H20Cl2O3

> <MOLECULAR_WEIGHT>
391.288

> <EXACT_MASS>
390.07894992

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
39.43070122486337

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

> <ALOGPS_LOGP>
6.24

> <JCHEM_LOGP>
5.696099242333333

> <ALOGPS_LOGS>
-6.75

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.691437473534804

> <JCHEM_POLAR_SURFACE_AREA>
35.53

> <JCHEM_REFRACTIVITY>
114.28240000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.91e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ceftobiprole

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB04930

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Permethrin

> <SYNONYMS>
(3-Phenoxyphenyl)methyl (±)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate; 3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropane carboxylic acid, (3-phenoxyphenyl) methyl ester; Permethrin

> <PRODUCTS>
Elimite; Equaline Lice Treatment; Good Neighbor Pharmacy Lice Treatment; Good Sense Lice Killing Creme Rinse; Good Sense Lice Treatment; Health Mart Lice Treatment; Kwellada-P CRème Rinse; Kwellada-P Lotion; Leader Lice Treatment; Lice Treatment; Nix; Nix COMPLETE Lice Treatment; Nix Complete Lice Treatment; Nix Complete Maximum Strength Lice Elimination; Nix Creme Rinse; Nix Dermal Cream; Nix Dermal Cream 5%; Nix FAMILY PACK Lice Killing Creme Rinse Kit; Nix Lice Killing Creme Rinse; Permethrin; Smart Sense Lice Treatment; Sunmark Lice Treatment; Topcare Lice Treatment; Topcare lice killing creme rinse

> <INTERNATIONAL_BRANDS>
Acticin; Lyclear

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