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CHEMBRIDGE-ZINC01179223

 MMsINC code: MMs00681494
Type: Neutral
Formula: C17H10ClF3N2O2
SMILES:   Clc1cccc(F)c1-c1noc(C)c1C(=O)Nc1cc(F)c(F)cc1
InChI:   InChI=1/C17H10ClF3N2O2/c1-8-14(17(24)22-9-5-6-11(19)13(21)7-9)16(23-25-8)15-10(18)3-2-4-12(15)20/h2-7H,1H3,(H,22,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.2535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.726 g/mol  logS: -6.32902  SlogP: 4.97302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146383  Sterimol/B1: 2.39719  Sterimol/B2: 3.81072  Sterimol/B3: 4.02428
  Sterimol/B4: 9.74775  Sterimol/L: 13.3506 
 
 Surface and Volume Properties
  Accessible surface: 556.047  Positive charged surface: 226.441  Negative charged surface: 329.606  Volume: 294.25
  Hydrophobic surface: 509.584  Hydrophilic surface: 46.463
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.