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NCID-ZINC01571170

 MMsINC code: MMs02231355
Type: Neutral
Formula: C7H15NO
SMILES:   O=C(N)C(C(C)C)(C)C
InChI:   InChI=1/C7H15NO/c1-5(2)7(3,4)6(8)9/h5H,1-4H3,(H2,8,9)

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Potential Energy
Epot(MMFF94)=34.2882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.203 g/mol  logS: -1.51221  SlogP: 1.1539  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.341823  Sterimol/B1: 2.21077  Sterimol/B2: 3.22168  Sterimol/B3: 3.42862
  Sterimol/B4: 5.39345  Sterimol/L: 9.19799 
 
 Surface and Volume Properties
  Accessible surface: 311.916  Positive charged surface: 207.83  Negative charged surface: 104.086  Volume: 143.5
  Hydrophobic surface: 156.425  Hydrophilic surface: 155.491
 
 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.