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ACROSORGANICS-ZINC03861588

MMsINC code: MMs00016007

Type: Neutral
Formula: C11H16O2
SMILES:   O(CCCCC)c1ccc(O)cc1
InChI:   InChI=1/C11H16O2/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8,12H,2-4,9H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=28.4645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.247 g/mol  logS: -2.63273  SlogP: 2.9612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0213074  Sterimol/B1: 2.41149  Sterimol/B2: 2.44594  Sterimol/B3: 3.2614
  Sterimol/B4: 4.5684  Sterimol/L: 15.3779 
 
 Surface and Volume Properties
  Accessible surface: 429.562  Positive charged surface: 299.558  Negative charged surface: 130.004  Volume: 195.25
  Hydrophobic surface: 349.527  Hydrophilic surface: 80.035
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.