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PUBCHEM-ZINC05839779

 MMsINC code: MMs03410090
Type: Neutral
Formula: C10H18O
SMILES:   O=C1CC(CC(C1)C)CCC
InChI:   InChI=1/C10H18O/c1-3-4-9-5-8(2)6-10(11)7-9/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.7721 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -2.81421  SlogP: 2.7918  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0869639  Sterimol/B1: 2.79222  Sterimol/B2: 3.06798  Sterimol/B3: 3.283
  Sterimol/B4: 5.21244  Sterimol/L: 12.1812 
 
 Surface and Volume Properties
  Accessible surface: 374.718  Positive charged surface: 273.636  Negative charged surface: 101.082  Volume: 177.75
  Hydrophobic surface: 287.237  Hydrophilic surface: 87.481
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.