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PUBCHEM-ZINC06757229

 MMsINC code: MMs03852916
Type: Neutral
Formula: C10H21NO2
SMILES:   O(CC(=O)N(CCC)CCC)CC
InChI:   InChI=1/C10H21NO2/c1-4-7-11(8-5-2)10(12)9-13-6-3/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.9543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.283 g/mol  logS: -1.18493  SlogP: 1.6715  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0712412  Sterimol/B1: 2.11882  Sterimol/B2: 2.81229  Sterimol/B3: 3.01655
  Sterimol/B4: 8.21322  Sterimol/L: 13.7023 
 
 Surface and Volume Properties
  Accessible surface: 454.315  Positive charged surface: 344.163  Negative charged surface: 110.151  Volume: 210.5
  Hydrophobic surface: 347.672  Hydrophilic surface: 106.643
 
 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.