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PUBCHEM-ZINC01846006

 MMsINC code: MMs02823971
Type: Neutral
Formula: C10H18O
SMILES:   OC(CCCC(C)=C)(C=C)C
InChI:   InChI=1/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,11H,1-2,6-8H2,3-4H3/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.6622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -2.26388  SlogP: 2.6698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11217  Sterimol/B1: 2.27168  Sterimol/B2: 2.70409  Sterimol/B3: 3.68921
  Sterimol/B4: 4.91758  Sterimol/L: 12.6214 
 
 Surface and Volume Properties
  Accessible surface: 397.744  Positive charged surface: 253.81  Negative charged surface: 143.934  Volume: 185
  Hydrophobic surface: 271.78  Hydrophilic surface: 125.964
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.