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NCID-ZINC01677789

 MMsINC code: MMs02312739
Type: Neutral
Formula: C11H22O2
SMILES:   O(C(=O)CCCCC)CCCCC
InChI:   InChI=1/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.89089 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.295 g/mol  logS: -3.31292  SlogP: 3.3001  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0205346  Sterimol/B1: 2.3754  Sterimol/B2: 2.3757  Sterimol/B3: 2.496
  Sterimol/B4: 3.3676  Sterimol/L: 18.3372 
 
 Surface and Volume Properties
  Accessible surface: 481.624  Positive charged surface: 381.011  Negative charged surface: 100.613  Volume: 216.75
  Hydrophobic surface: 398.794  Hydrophilic surface: 82.83
 
 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.