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ENAMINE-ZINC03456065

MMsINC code: MMs01454017

Type: Neutral
Formula: C18H10ClF3N2O
SMILES:   Clc1cc(cnc1Oc1cc2[nH]c3c(c2cc1)cccc3)C(F)(F)F
InChI:   InChI=1/C18H10ClF3N2O/c19-14-7-10(18(20,21)22)9-23-17(14)25-11-5-6-13-12-3-1-2-4-15(12)24-16(13)8-11/h1-9,24H

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=78.5292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.738 g/mol  logS: -6.14813  SlogP: 6.4921  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0722025  Sterimol/B1: 2.47866  Sterimol/B2: 3.63349  Sterimol/B3: 3.89336
  Sterimol/B4: 6.20247  Sterimol/L: 17.0307 
 
 Surface and Volume Properties
  Accessible surface: 562.368  Positive charged surface: 229.378  Negative charged surface: 322.368  Volume: 294.5
  Hydrophobic surface: 428.833  Hydrophilic surface: 133.535
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.