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PUBCHEM-ZINC04228277

 MMsINC code: MMs03104082
Type: Neutral
Formula: C10H20O
SMILES:   OC1CC(CCC1C(C)C)C
InChI:   InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.6542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.269 g/mol  logS: -2.60657  SlogP: 2.4395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137055  Sterimol/B1: 2.73361  Sterimol/B2: 3.5356  Sterimol/B3: 3.54151
  Sterimol/B4: 3.70985  Sterimol/L: 11.0206 
 
 Surface and Volume Properties
  Accessible surface: 367.396  Positive charged surface: 284.507  Negative charged surface: 82.8896  Volume: 183.5
  Hydrophobic surface: 273.308  Hydrophilic surface: 94.088
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.