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OAKWOOD-ZINC01850646

 MMsINC code: MMs02543259
Type: Neutral
Formula: C10H18O2
SMILES:   OC(=O)CCCCCCCC=C
InChI:   InChI=1/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2H,1,3-9H2,(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.712962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.252 g/mol  logS: -3.04945  SlogP: 2.9877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0353504  Sterimol/B1: 2.17211  Sterimol/B2: 2.85644  Sterimol/B3: 3.15107
  Sterimol/B4: 3.34688  Sterimol/L: 16.5473 
 
 Surface and Volume Properties
  Accessible surface: 438.467  Positive charged surface: 311.48  Negative charged surface: 126.987  Volume: 193.875
  Hydrophobic surface: 287.398  Hydrophilic surface: 151.069
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02543260
OAKWOOD-ZINC01850646