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PUBCHEM-ZINC05310230

 MMsINC code: MMs03236943
Type: Neutral
Formula: C10H18O
SMILES:   OC1(CCCC=C1)CCCC
InChI:   InChI=1/C10H18O/c1-2-3-7-10(11)8-5-4-6-9-10/h5,8,11H,2-4,6-7,9H2,1H3/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.3303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -2.20099  SlogP: 2.6478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102419  Sterimol/B1: 3.12743  Sterimol/B2: 3.38675  Sterimol/B3: 3.69775
  Sterimol/B4: 4.19036  Sterimol/L: 12.253 
 
 Surface and Volume Properties
  Accessible surface: 375.271  Positive charged surface: 281.968  Negative charged surface: 93.3027  Volume: 178.5
  Hydrophobic surface: 297.077  Hydrophilic surface: 78.194
 
 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.