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PUBCHEM-ZINC01081406

 MMsINC code: MMs02765963
Type: Neutral
Formula: C7H13NO2
SMILES:   OC1CCCCC1C(=O)N
InChI:   InChI=1/C7H13NO2/c8-7(10)5-3-1-2-4-6(5)9/h5-6,9H,1-4H2,(H2,8,10)/t5-,6+/m0/s1

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Potential Energy
Epot(MMFF94)=11.7406 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.186 g/mol  logS: -0.69241  SlogP: 0.0228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192562  Sterimol/B1: 2.33181  Sterimol/B2: 2.93547  Sterimol/B3: 3.21665
  Sterimol/B4: 5.23373  Sterimol/L: 9.90001 
 
 Surface and Volume Properties
  Accessible surface: 319.053  Positive charged surface: 242.226  Negative charged surface: 76.827  Volume: 142.125
  Hydrophobic surface: 187.37  Hydrophilic surface: 131.683
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.