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PUBCHEM-ZINC06758511

 MMsINC code: MMs03853848
Type: Neutral
Formula: C10H19NO2
SMILES:   O(CC(=O)N1CCCCC1C)CC
InChI:   InChI=1/C10H19NO2/c1-3-13-8-10(12)11-7-5-4-6-9(11)2/h9H,3-8H2,1-2H3/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.20833  SlogP: 1.4239  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0653771  Sterimol/B1: 2.72  Sterimol/B2: 3.39927  Sterimol/B3: 4.21048
  Sterimol/B4: 4.69006  Sterimol/L: 13.2478 
 
 Surface and Volume Properties
  Accessible surface: 417.595  Positive charged surface: 335.777  Negative charged surface: 81.8181  Volume: 197.625
  Hydrophobic surface: 347.791  Hydrophilic surface: 69.804
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.