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CHEMBRIDGE-ZINC00394165

MMsINC code: MMs00612021

Type: Neutral
Formula: C12H11NO2
SMILES:   Oc1cc2c(cc1)cccc2NC(=O)C
InChI:   InChI=1/C12H11NO2/c1-8(14)13-12-4-2-3-9-5-6-10(15)7-11(9)12/h2-7,15H,1H3,(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=58.5718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.225 g/mol  logS: -3.11026  SlogP: 2.5038  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0171032  Sterimol/B1: 2.39809  Sterimol/B2: 2.54111  Sterimol/B3: 3.90376
  Sterimol/B4: 6.26646  Sterimol/L: 12.3133 
 
 Surface and Volume Properties
  Accessible surface: 400.724  Positive charged surface: 226.062  Negative charged surface: 163.81  Volume: 194
  Hydrophobic surface: 307.111  Hydrophilic surface: 93.613
 
 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.