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PUBCHEM-ZINC02534693

 MMsINC code: MMs02896281
Type: Neutral
Formula: C10H18O
SMILES:   O=CCCCCCCCC=C
InChI:   InChI=1/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h2,10H,1,3-9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.71462 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -3.08616  SlogP: 3.102  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0438526  Sterimol/B1: 2.22045  Sterimol/B2: 2.47051  Sterimol/B3: 2.8174
  Sterimol/B4: 3.25797  Sterimol/L: 15.8968 
 
 Surface and Volume Properties
  Accessible surface: 426.087  Positive charged surface: 307.984  Negative charged surface: 118.103  Volume: 187.5
  Hydrophobic surface: 310.012  Hydrophilic surface: 116.075
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.