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NCID-ZINC01672870

 MMsINC code: MMs02308928
Type: Neutral
Formula: C7H15NO
SMILES:   O=C(N)CCCCCC
InChI:   InChI=1/C7H15NO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H2,8,9)

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Potential Energy
Epot(MMFF94)=-3.75999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.203 g/mol  logS: -2.13911  SlogP: 1.4421  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0435288  Sterimol/B1: 2.37506  Sterimol/B2: 2.37594  Sterimol/B3: 2.96349
  Sterimol/B4: 3.13989  Sterimol/L: 13.1543 
 
 Surface and Volume Properties
  Accessible surface: 356.93  Positive charged surface: 276.468  Negative charged surface: 80.4615  Volume: 148.125
  Hydrophobic surface: 223.326  Hydrophilic surface: 133.604
 
 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.