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PUBCHEM-ZINC05514116

 MMsINC code: MMs03293814
Type: Neutral
Formula: C10H20O3
SMILES:   O(C(=O)CCC)CCOCCCC
InChI:   InChI=1/C10H20O3/c1-3-5-7-12-8-9-13-10(11)6-4-2/h3-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.9338 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.267 g/mol  logS: -1.9099  SlogP: 2.1464  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0344748  Sterimol/B1: 2.3665  Sterimol/B2: 2.61033  Sterimol/B3: 3.15455
  Sterimol/B4: 6.20227  Sterimol/L: 16.268 
 
 Surface and Volume Properties
  Accessible surface: 479.759  Positive charged surface: 381.323  Negative charged surface: 98.4359  Volume: 208.75
  Hydrophobic surface: 391.091  Hydrophilic surface: 88.668
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.