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PUBCHEM-ZINC05380256

 MMsINC code: MMs03252464
Type: Neutral
Formula: C8H15NO
SMILES:   O=C(N1CCCC1)C(C)C
InChI:   InChI=1/C8H15NO/c1-7(2)8(10)9-5-3-4-6-9/h7H,3-6H2,1-2H3

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Potential Energy
Epot(MMFF94)=20.5529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 141.214 g/mol  logS: -0.6204  SlogP: 1.2648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122242  Sterimol/B1: 2.18115  Sterimol/B2: 2.46457  Sterimol/B3: 3.87731
  Sterimol/B4: 4.97975  Sterimol/L: 10.7522 
 
 Surface and Volume Properties
  Accessible surface: 344.151  Positive charged surface: 261.055  Negative charged surface: 83.0969  Volume: 157.375
  Hydrophobic surface: 275.609  Hydrophilic surface: 68.542
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.