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PUBCHEM-ZINC01350636

 MMsINC code: MMs02798530
Type: Ionized
Formula: C12H7Cl2N2O2-
SMILES:   Clc1cc(Cl)ccc1Nc1ncccc1C(=O)[O-]
InChI:   InChI=1/C12H8Cl2N2O2/c13-7-3-4-10(9(14)6-7)16-11-8(12(17)18)2-1-5-15-11/h1-6H,(H,15,16)(H,17,18)/p-1

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Potential Energy
Epot(MMFF94)=29.6436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.106 g/mol  logS: -3.75675  SlogP: 2.4955  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00507239  Sterimol/B1: 2.35015  Sterimol/B2: 2.43925  Sterimol/B3: 3.20947
  Sterimol/B4: 6.29223  Sterimol/L: 13.8445 
 
 Surface and Volume Properties
  Accessible surface: 449.826  Positive charged surface: 186.696  Negative charged surface: 263.13  Volume: 229.875
  Hydrophobic surface: 361.947  Hydrophilic surface: 87.879
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs02798529
PUBCHEM-ZINC01350636