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PUBCHEM-ZINC01420499

 MMsINC code: MMs02804372
Type: Neutral
Formula: C8H15NO2
SMILES:   OC(=O)CCC1CCCNC1
InChI:   InChI=1/C8H15NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h7,9H,1-6H2,(H,10,11)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=2.15201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.213 g/mol  logS: -0.06572  SlogP: 0.8508  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0929895  Sterimol/B1: 2.56345  Sterimol/B2: 2.91608  Sterimol/B3: 3.31979
  Sterimol/B4: 4.31922  Sterimol/L: 12.2292 
 
 Surface and Volume Properties
  Accessible surface: 356.19  Positive charged surface: 277.104  Negative charged surface: 79.0859  Volume: 160.75
  Hydrophobic surface: 228.949  Hydrophilic surface: 127.241
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.