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PUBCHEM-ZINC05765798

 MMsINC code: MMs03379217
Type: Neutral
Formula: C10H18O
SMILES:   OC1(C2CC(CC2)C1(C)C)C
InChI:   InChI=1/C10H18O/c1-9(2)7-4-5-8(6-7)10(9,3)11/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.0532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -1.68962  SlogP: 2.1935  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.583729  Sterimol/B1: 2.4672  Sterimol/B2: 2.63322  Sterimol/B3: 4.74596
  Sterimol/B4: 5.6999  Sterimol/L: 8.53659 
 
 Surface and Volume Properties
  Accessible surface: 337.309  Positive charged surface: 247.647  Negative charged surface: 89.6623  Volume: 172.125
  Hydrophobic surface: 260.408  Hydrophilic surface: 76.901
 
 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.