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PUBCHEM-ZINC05384603

 MMsINC code: MMs03254224
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-/m0/s1

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Potential Energy
Epot(MMFF94)=-1.18686 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: 0.0889291  Sterimol/B1: 2.0433  Sterimol/B2: 2.89185  Sterimol/B3: 2.92988
  Sterimol/B4: 5.78048  Sterimol/L: 11.8958 
 
 Surface and Volume Properties
  Accessible surface: 360.158  Positive charged surface: 269.42  Negative charged surface: 90.7373  Volume: 157.875
  Hydrophobic surface: 244.463  Hydrophilic surface: 115.695
 
 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.