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PUBCHEM-ZINC00337056

 MMsINC code: MMs02658100
Type: Neutral
Formula: C10H12O2
SMILES:   OC1CCc2c(cccc2)C1O
InChI:   InChI=1/C10H12O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-12H,5-6H2/t9-,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.5263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.204 g/mol  logS: -1.339  SlogP: 1.12257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129951  Sterimol/B1: 3.15769  Sterimol/B2: 3.23312  Sterimol/B3: 3.31312
  Sterimol/B4: 5.26714  Sterimol/L: 9.69505 
 
 Surface and Volume Properties
  Accessible surface: 345.38  Positive charged surface: 220.949  Negative charged surface: 124.431  Volume: 162.25
  Hydrophobic surface: 265.218  Hydrophilic surface: 80.162
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.