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IBS-ZINC00156312

 MMsINC code: MMs01730941
Type: Neutral
Formula: C15H10ClFN2O
SMILES:   Clc1cc2cc([nH]c2cc1)C(=O)Nc1ccc(F)cc1
InChI:   InChI=1/C15H10ClFN2O/c16-10-1-6-13-9(7-10)8-14(19-13)15(20)18-12-4-2-11(17)3-5-12/h1-8,19H,(H,18,20)

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Potential Energy
Epot(MMFF94)=47.6171 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.709 g/mol  logS: -4.82696  SlogP: 4.2127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0121461  Sterimol/B1: 2.12721  Sterimol/B2: 2.91091  Sterimol/B3: 3.03507
  Sterimol/B4: 4.92146  Sterimol/L: 17.4803 
 
 Surface and Volume Properties
  Accessible surface: 492.388  Positive charged surface: 211.684  Negative charged surface: 275.323  Volume: 250.25
  Hydrophobic surface: 426.976  Hydrophilic surface: 65.412
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.