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PUBCHEM-ZINC06161248

 MMsINC code: MMs03572538
Type: Neutral
Formula: C14H10Cl2N4O
SMILES:   Clc1cc(Cl)ccc1NC(=O)Nc1cc2c([nH]nc2)cc1
InChI:   InChI=1/C14H10Cl2N4O/c15-9-1-3-13(11(16)6-9)19-14(21)18-10-2-4-12-8(5-10)7-17-20-12/h1-7H,(H,17,20)(H2,18,19,21)

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Potential Energy
Epot(MMFF94)=66.2438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.167 g/mol  logS: -5.00335  SlogP: 4.5137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0364215  Sterimol/B1: 2.47858  Sterimol/B2: 3.22674  Sterimol/B3: 3.84082
  Sterimol/B4: 5.20718  Sterimol/L: 17.0242 
 
 Surface and Volume Properties
  Accessible surface: 524.109  Positive charged surface: 246.681  Negative charged surface: 272.061  Volume: 268.125
  Hydrophobic surface: 412.942  Hydrophilic surface: 111.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.