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PUBCHEM-ZINC06403279

 MMsINC code: MMs03707893
Type: Neutral
Formula: C12H23NO2
SMILES:   O(C(=O)C(N1CCCCCCC1)C)CC
InChI:   InChI=1/C12H23NO2/c1-3-15-12(14)11(2)13-9-7-5-4-6-8-10-13/h11H,3-10H2,1-2H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=89.6012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.321 g/mol  logS: -2.02216  SlogP: 2.2041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121396  Sterimol/B1: 3.28331  Sterimol/B2: 3.59164  Sterimol/B3: 3.96966
  Sterimol/B4: 4.15744  Sterimol/L: 13.6531 
 
 Surface and Volume Properties
  Accessible surface: 442.672  Positive charged surface: 346.808  Negative charged surface: 95.8649  Volume: 228.25
  Hydrophobic surface: 382.147  Hydrophilic surface: 60.525
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03707894
PUBCHEM-ZINC06403279