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PUBCHEM-ZINC02143498

 MMsINC code: MMs02876436
Type: Neutral
Formula: C14H18O
SMILES:   OCc1ccccc1C=1CCCCCC=1
InChI:   InChI=1/C14H18O/c15-11-13-9-5-6-10-14(13)12-7-3-1-2-4-8-12/h5-7,9-10,15H,1-4,8,11H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.2935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.297 g/mol  logS: -3.73011  SlogP: 3.7928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15631  Sterimol/B1: 3.55177  Sterimol/B2: 3.82992  Sterimol/B3: 3.87136
  Sterimol/B4: 6.10997  Sterimol/L: 12.2589 
 
 Surface and Volume Properties
  Accessible surface: 423.556  Positive charged surface: 293.424  Negative charged surface: 130.133  Volume: 220.125
  Hydrophobic surface: 364.557  Hydrophilic surface: 58.999
 
 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.