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CHEMDIV-ZINC00208137

 MMsINC code: MMs00839942
Type: Neutral
Formula: C13H7ClN2O2
SMILES:   Clc1ccc(nc1)N1C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C13H7ClN2O2/c14-8-5-6-11(15-7-8)16-12(17)9-3-1-2-4-10(9)13(16)18/h1-7H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.4396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.664 g/mol  logS: -3.546  SlogP: 2.5356  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000335355  Sterimol/B1: 2.149  Sterimol/B2: 2.17984  Sterimol/B3: 3.24712
  Sterimol/B4: 4.75728  Sterimol/L: 14.9168 
 
 Surface and Volume Properties
  Accessible surface: 437.25  Positive charged surface: 206.305  Negative charged surface: 230.945  Volume: 220
  Hydrophobic surface: 349.76  Hydrophilic surface: 87.49
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.