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ASINEX-ZINC00046019

 MMsINC code: MMs00064037
Type: Neutral
Formula: C14H10Cl2N2O2
SMILES:   Clc1cc(Cl)cc(\C=N\c2ccccc2C(=O)N)c1O
InChI:   InChI=1/C14H10Cl2N2O2/c15-9-5-8(13(19)11(16)6-9)7-18-12-4-2-1-3-10(12)14(17)20/h1-7,19H,(H2,17,20)/b18-7+

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Potential Energy
Epot(MMFF94)=76.4442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.152 g/mol  logS: -4.66837  SlogP: 3.5485  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0606528  Sterimol/B1: 3.35516  Sterimol/B2: 3.38485  Sterimol/B3: 3.76488
  Sterimol/B4: 6.21167  Sterimol/L: 14.3776 
 
 Surface and Volume Properties
  Accessible surface: 505.987  Positive charged surface: 237.923  Negative charged surface: 268.065  Volume: 262.5
  Hydrophobic surface: 379.974  Hydrophilic surface: 126.013
 
 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.