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CHEMSTAR-ZINC00262964

 MMsINC code: MMs01074235
Type: Neutral
Formula: C14H11ClN2O2
SMILES:   Clc1ccccc1C(=O)N\N=C\c1ccccc1O
InChI:   InChI=1/C14H11ClN2O2/c15-12-7-3-2-6-11(12)14(19)17-16-9-10-5-1-4-8-13(10)18/h1-9,18H,(H,17,19)/b16-9+

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Potential Energy
Epot(MMFF94)=94.8982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.707 g/mol  logS: -3.91049  SlogP: 2.8095  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00135271  Sterimol/B1: 2.14639  Sterimol/B2: 2.16003  Sterimol/B3: 2.89901
  Sterimol/B4: 6.03754  Sterimol/L: 16.4824 
 
 Surface and Volume Properties
  Accessible surface: 496.469  Positive charged surface: 256.761  Negative charged surface: 239.708  Volume: 246.125
  Hydrophobic surface: 400.838  Hydrophilic surface: 95.631
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.