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CHEMBRIDGE-ZINC00297283

 MMsINC code: MMs00603212
Type: Neutral
Formula: C14H11ClN2O2
SMILES:   Clc1cc(ccc1)C(=O)N\N=C\c1cc(O)ccc1
InChI:   InChI=1/C14H11ClN2O2/c15-12-5-2-4-11(8-12)14(19)17-16-9-10-3-1-6-13(18)7-10/h1-9,18H,(H,17,19)/b16-9+

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Potential Energy
Epot(MMFF94)=72.0856 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: 0.00116642  Sterimol/B1: 2.16352  Sterimol/B2: 2.18304  Sterimol/B3: 2.53561
  Sterimol/B4: 6.70521  Sterimol/L: 16.4334 
 
 Surface and Volume Properties
  Accessible surface: 506.735  Positive charged surface: 243.773  Negative charged surface: 262.963  Volume: 247.875
  Hydrophobic surface: 381.565  Hydrophilic surface: 125.17
 
 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.