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PUBCHEM-ZINC05762019

 MMsINC code: MMs03375339
Type: Neutral
Formula: C8H15NO
SMILES:   O=C(N)C1C(C)(C)C1(C)C
InChI:   InChI=1/C8H15NO/c1-7(2)5(6(9)10)8(7,3)4/h5H,1-4H3,(H2,9,10)

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Potential Energy
Epot(MMFF94)=29.3196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 141.214 g/mol  logS: -2.23884  SlogP: 1.1539  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.405946  Sterimol/B1: 2.38126  Sterimol/B2: 3.33741  Sterimol/B3: 3.87175
  Sterimol/B4: 6.11807  Sterimol/L: 9.29271 
 
 Surface and Volume Properties
  Accessible surface: 334.837  Positive charged surface: 227.817  Negative charged surface: 107.02  Volume: 156.75
  Hydrophobic surface: 243.619  Hydrophilic surface: 91.218
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.