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PUBCHEM-ZINC05439450

 MMsINC code: MMs03269595
Type: Neutral
Formula: C8H15NO
SMILES:   O=C1N(CCC1)C(C)(C)C
InChI:   InChI=1/C8H15NO/c1-8(2,3)9-6-4-5-7(9)10/h4-6H2,1-3H3

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Potential Energy
Epot(MMFF94)=27.3768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 141.214 g/mol  logS: -0.87128  SlogP: 1.4073  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.260788  Sterimol/B1: 2.38685  Sterimol/B2: 2.56877  Sterimol/B3: 4.84922
  Sterimol/B4: 4.87302  Sterimol/L: 9.1321 
 
 Surface and Volume Properties
  Accessible surface: 336.517  Positive charged surface: 242.159  Negative charged surface: 94.3575  Volume: 155.875
  Hydrophobic surface: 254.863  Hydrophilic surface: 81.654
 
 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.