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BACHEM-ZINC04787585

 MMsINC code: MMs00484846
Type: Neutral
Formula: C7H15NO2
SMILES:   O(C(C)(C)C)C(=O)C(N)C
InChI:   InChI=1/C7H15NO2/c1-5(8)6(9)10-7(2,3)4/h5H,8H2,1-4H3/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=44.3212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.202 g/mol  logS: -0.99891  SlogP: 0.6753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178946  Sterimol/B1: 2.39352  Sterimol/B2: 3.31204  Sterimol/B3: 3.3656
  Sterimol/B4: 4.72913  Sterimol/L: 10.3685 
 
 Surface and Volume Properties
  Accessible surface: 352.46  Positive charged surface: 251.556  Negative charged surface: 100.904  Volume: 154.75
  Hydrophobic surface: 203.892  Hydrophilic surface: 148.568
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.