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ACDBLOCKS-ZINC02534074

MMsINC code: MMs00000656

Type: Neutral
Formula: C10H8ClNO2
SMILES:   Clc1c2cc([nH]c2ccc1)C(OC)=O
InChI:   InChI=1/C10H8ClNO2/c1-14-10(13)9-5-6-7(11)3-2-4-8(6)12-9/h2-5,12H,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=30.0209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.632 g/mol  logS: -2.94372  SlogP: 2.6079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00742271  Sterimol/B1: 2.37452  Sterimol/B2: 2.37547  Sterimol/B3: 3.75792
  Sterimol/B4: 5.31996  Sterimol/L: 12.7895 
 
 Surface and Volume Properties
  Accessible surface: 400.235  Positive charged surface: 210.733  Negative charged surface: 183.815  Volume: 184.75
  Hydrophobic surface: 326.785  Hydrophilic surface: 73.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.