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PUBCHEM-ZINC05384550

 MMsINC code: MMs03254210
Type: Neutral
Formula: C7H15NO2
SMILES:   O(C(=O)NC(C(C)C)C)C
InChI:   InChI=1/C7H15NO2/c1-5(2)6(3)8-7(9)10-4/h5-6H,1-4H3,(H,8,9)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=3.52508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.202 g/mol  logS: -0.89789  SlogP: 1.3869  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127612  Sterimol/B1: 2.1525  Sterimol/B2: 2.87265  Sterimol/B3: 3.69776
  Sterimol/B4: 4.63065  Sterimol/L: 11.7809 
 
 Surface and Volume Properties
  Accessible surface: 356.087  Positive charged surface: 264.649  Negative charged surface: 91.4382  Volume: 155.75
  Hydrophobic surface: 238.382  Hydrophilic surface: 117.705
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.