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PUBCHEM-ZINC04700891

 MMsINC code: MMs03160333
Type: Neutral
Formula: C9H7ClN2O2
SMILES:   Clc1cc2cc(oc2cc1)C(=O)NN
InChI:   InChI=1/C9H7ClN2O2/c10-6-1-2-7-5(3-6)4-8(14-7)9(13)12-11/h1-4H,11H2,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.8733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.62 g/mol  logS: -3.94947  SlogP: 1.6897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00254487  Sterimol/B1: 2.097  Sterimol/B2: 2.18761  Sterimol/B3: 3.01379
  Sterimol/B4: 5.02407  Sterimol/L: 13.9127 
 
 Surface and Volume Properties
  Accessible surface: 390.903  Positive charged surface: 190.749  Negative charged surface: 194.344  Volume: 176.125
  Hydrophobic surface: 247.732  Hydrophilic surface: 143.171
 
 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.