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PUBCHEM-ZINC05158658

 MMsINC code: MMs03214803
Type: Neutral
Formula: C10H18O
SMILES:   OC\C(=C/CCC=C(C)C)\C
InChI:   InChI=1/C10H18O/c1-9(2)6-4-5-7-10(3)8-11/h6-7,11H,4-5,8H2,1-3H3/b10-7-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.3793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -2.08544  SlogP: 2.6714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128057  Sterimol/B1: 2.13158  Sterimol/B2: 2.64626  Sterimol/B3: 4.89125
  Sterimol/B4: 4.98129  Sterimol/L: 12.6415 
 
 Surface and Volume Properties
  Accessible surface: 408.959  Positive charged surface: 291.76  Negative charged surface: 117.199  Volume: 184.75
  Hydrophobic surface: 326.596  Hydrophilic surface: 82.363
 
 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.