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PUBCHEM-ZINC05496007

 MMsINC code: MMs03286450
Type: Neutral
Formula: C10H19NO
SMILES:   O=C(N1CCCC1)CC(C)(C)C
InChI:   InChI=1/C10H19NO/c1-10(2,3)8-9(12)11-6-4-5-7-11/h4-8H2,1-3H3

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Potential Energy
Epot(MMFF94)=38.637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -1.96429  SlogP: 2.045  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121891  Sterimol/B1: 2.29831  Sterimol/B2: 2.74751  Sterimol/B3: 4.04861
  Sterimol/B4: 4.92356  Sterimol/L: 11.8898 
 
 Surface and Volume Properties
  Accessible surface: 393.699  Positive charged surface: 303.739  Negative charged surface: 89.9606  Volume: 191.375
  Hydrophobic surface: 322.4  Hydrophilic surface: 71.299
 
 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.