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PUBCHEM-ZINC01845502

 MMsINC code: MMs02823793
Type: Neutral
Formula: C10H14O
SMILES:   Oc1ccc(cc1CC)CC
InChI:   InChI=1/C10H14O/c1-3-8-5-6-10(11)9(4-2)7-8/h5-7,11H,3-4H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.7199 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.221 g/mol  logS: -2.68776  SlogP: 2.51694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112586  Sterimol/B1: 2.27658  Sterimol/B2: 2.52789  Sterimol/B3: 3.56088
  Sterimol/B4: 5.55773  Sterimol/L: 10.8457 
 
 Surface and Volume Properties
  Accessible surface: 372.192  Positive charged surface: 245.633  Negative charged surface: 126.559  Volume: 169.125
  Hydrophobic surface: 284.781  Hydrophilic surface: 87.411
 
 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.