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CHEMDIV-ZINC00077281

 MMsINC code: MMs00830996
Type: Neutral
Formula: C11H8Cl2N2O
SMILES:   Clc1c2c([nH]c3c2CCNC3=O)c(Cl)cc1
InChI:   InChI=1/C11H8Cl2N2O/c12-6-1-2-7(13)10-8(6)5-3-4-14-11(16)9(5)15-10/h1-2,15H,3-4H2,(H,14,16)

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Potential Energy
Epot(MMFF94)=27.1673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.104 g/mol  logS: -3.62628  SlogP: 2.76057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0283309  Sterimol/B1: 2.78448  Sterimol/B2: 2.97998  Sterimol/B3: 3.88534
  Sterimol/B4: 6.02896  Sterimol/L: 11.5905 
 
 Surface and Volume Properties
  Accessible surface: 409.683  Positive charged surface: 193.324  Negative charged surface: 210.795  Volume: 207.125
  Hydrophobic surface: 307.612  Hydrophilic surface: 102.071
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.