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NCID-ZINC00130855

 MMsINC code: MMs02213506
Type: Neutral
Formula: C14H10Cl2N2O2
SMILES:   Clc1cc(Cl)cc(\C=N\NC(=O)c2ccccc2)c1O
InChI:   InChI=1/C14H10Cl2N2O2/c15-11-6-10(13(19)12(16)7-11)8-17-18-14(20)9-4-2-1-3-5-9/h1-8,19H,(H,18,20)/b17-8+

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Potential Energy
Epot(MMFF94)=85.7897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.152 g/mol  logS: -4.64478  SlogP: 3.4629  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00129069  Sterimol/B1: 2.12151  Sterimol/B2: 2.17867  Sterimol/B3: 3.9175
  Sterimol/B4: 5.38942  Sterimol/L: 16.8755 
 
 Surface and Volume Properties
  Accessible surface: 524.735  Positive charged surface: 227.806  Negative charged surface: 296.929  Volume: 262.25
  Hydrophobic surface: 427.541  Hydrophilic surface: 97.194
 
 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.