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NCID-ZINC04786636

 MMsINC code: MMs02406098
Type: Neutral
Formula: C6H4ClNO2
SMILES:   Clc1cc(N=O)ccc1O
InChI:   InChI=1/C6H4ClNO2/c7-5-3-4(8-10)1-2-6(5)9/h1-3,9H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.1313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.556 g/mol  logS: -2.21416  SlogP: 2.4435  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0116081  Sterimol/B1: 2.19468  Sterimol/B2: 2.21401  Sterimol/B3: 2.46988
  Sterimol/B4: 6.16859  Sterimol/L: 9.65099 
 
 Surface and Volume Properties
  Accessible surface: 303.935  Positive charged surface: 105.653  Negative charged surface: 198.282  Volume: 125.625
  Hydrophobic surface: 248.692  Hydrophilic surface: 55.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.