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ASINEX-ZINC04539043

 MMsINC code: MMs00350398
Type: Neutral
Formula: C16H7Cl2NO2
SMILES:   ClC1=C2Oc3c(N=C2c2c(cccc2)C1=O)cc(Cl)cc3
InChI:   InChI=1/C16H7Cl2NO2/c17-8-5-6-12-11(7-8)19-14-9-3-1-2-4-10(9)15(20)13(18)16(14)21-12/h1-7H

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Potential Energy
Epot(MMFF94)=72.3119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.143 g/mol  logS: -6.71809  SlogP: 4.6088  Reactive groups: 1
 
 Topological Properties
  Globularity: 8.34399e-08  Sterimol/B1: 2.097  Sterimol/B2: 2.0998  Sterimol/B3: 3.52325
  Sterimol/B4: 7.12609  Sterimol/L: 14.4712 
 
 Surface and Volume Properties
  Accessible surface: 491.466  Positive charged surface: 198.878  Negative charged surface: 292.588  Volume: 261.25
  Hydrophobic surface: 441.262  Hydrophilic surface: 50.204
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.