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CHEMBRIDGE-ZINC04695702

 MMsINC code: MMs00777557
Type: Neutral
Formula: C12H8Cl2N2O3
SMILES:   Clc1cc(ccc1Cl)C(=O)NNC(=O)c1occc1
InChI:   InChI=1/C12H8Cl2N2O3/c13-8-4-3-7(6-9(8)14)11(17)15-16-12(18)10-2-1-5-19-10/h1-6H,(H,15,17)(H,16,18)

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Potential Energy
Epot(MMFF94)=62.7591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.113 g/mol  logS: -4.80355  SlogP: 2.6612  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.84831e-07  Sterimol/B1: 2.09916  Sterimol/B2: 2.10073  Sterimol/B3: 4.16053
  Sterimol/B4: 4.80315  Sterimol/L: 17.2234 
 
 Surface and Volume Properties
  Accessible surface: 495.084  Positive charged surface: 182.481  Negative charged surface: 312.603  Volume: 242.25
  Hydrophobic surface: 382.29  Hydrophilic surface: 112.794
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.