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NCID-ZINC02004389

 MMsINC code: MMs02377425
Type: Neutral
Formula: C10H18O
SMILES:   O=C1CCCCC1CCCC
InChI:   InChI=1/C10H18O/c1-2-3-6-9-7-4-5-8-10(9)11/h9H,2-8H2,1H3/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.5859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -2.50076  SlogP: 2.9359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0787042  Sterimol/B1: 2.74396  Sterimol/B2: 3.09222  Sterimol/B3: 3.47494
  Sterimol/B4: 4.30064  Sterimol/L: 12.5882 
 
 Surface and Volume Properties
  Accessible surface: 377.865  Positive charged surface: 288.883  Negative charged surface: 88.9823  Volume: 178.875
  Hydrophobic surface: 327.214  Hydrophilic surface: 50.651
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.