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ACROSORGANICS-ZINC01577328

 MMsINC code: MMs00009452
Type: Neutral
Formula: C12H12O
SMILES:   OCCc1cc2c(cc1)cccc2
InChI:   InChI=1/C12H12O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9,13H,7-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.8807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.227 g/mol  logS: -3.09525  SlogP: 2.37457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0497483  Sterimol/B1: 2.38979  Sterimol/B2: 3.1222  Sterimol/B3: 4.12729
  Sterimol/B4: 4.3121  Sterimol/L: 12.8327 
 
 Surface and Volume Properties
  Accessible surface: 390.647  Positive charged surface: 231.169  Negative charged surface: 148.407  Volume: 182.5
  Hydrophobic surface: 336.7  Hydrophilic surface: 53.947
 
 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.