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NCID-ZINC01712760

 MMsINC code: MMs02339489
Type: Neutral
Formula: C14H12O
SMILES:   O1c2c(cc(cc2)C)Cc2c1cccc2
InChI:   InChI=1/C14H12O/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)15-14/h2-8H,9H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.4094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.249 g/mol  logS: -4.21068  SlogP: 3.69149  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0216504  Sterimol/B1: 2.55108  Sterimol/B2: 3.23792  Sterimol/B3: 3.30813
  Sterimol/B4: 5.00626  Sterimol/L: 13.2521 
 
 Surface and Volume Properties
  Accessible surface: 412.765  Positive charged surface: 244.988  Negative charged surface: 167.777  Volume: 202
  Hydrophobic surface: 412.765  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.