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PUBCHEM-ZINC05454560

 MMsINC code: MMs03273964
Type: Neutral
Formula: C10H19NO2
SMILES:   O1CCN(CC1)C(=O)C(CC)CC
InChI:   InChI=1/C10H19NO2/c1-3-9(4-2)10(12)11-5-7-13-8-6-11/h9H,3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.0311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.38994  SlogP: 1.2814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.208052  Sterimol/B1: 1.98617  Sterimol/B2: 2.78693  Sterimol/B3: 4.7193
  Sterimol/B4: 5.49098  Sterimol/L: 11.9234 
 
 Surface and Volume Properties
  Accessible surface: 384.395  Positive charged surface: 299.464  Negative charged surface: 84.9305  Volume: 195.75
  Hydrophobic surface: 306.127  Hydrophilic surface: 78.268
 
 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.