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PUBCHEM-ZINC02734881

 MMsINC code: MMs02913223
Type: Neutral
Formula: C10H19NO2
SMILES:   O(CC(=O)N1CCC(CC1)C)CC
InChI:   InChI=1/C10H19NO2/c1-3-13-8-10(12)11-6-4-9(2)5-7-11/h9H,3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.4988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.39634  SlogP: 1.2814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0659913  Sterimol/B1: 2.74636  Sterimol/B2: 3.81948  Sterimol/B3: 3.90323
  Sterimol/B4: 3.97325  Sterimol/L: 14.4203 
 
 Surface and Volume Properties
  Accessible surface: 427.911  Positive charged surface: 336.938  Negative charged surface: 90.9731  Volume: 201
  Hydrophobic surface: 339.035  Hydrophilic surface: 88.876
 
 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.