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PUBCHEM-ZINC05410609

 MMsINC code: MMs03260273
Type: Neutral
Formula: C12H24N2O2
SMILES:   O=CCCCNCCCCNCCCC=O
InChI:   InChI=1/C12H24N2O2/c15-11-5-3-9-13-7-1-2-8-14-10-4-6-12-16/h11-14H,1-10H2

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Potential Energy
Epot(MMFF94)=-2.43294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.336 g/mol  logS: 0.23956  SlogP: 0.904  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0187511  Sterimol/B1: 2.21988  Sterimol/B2: 2.37515  Sterimol/B3: 2.60319
  Sterimol/B4: 3.08014  Sterimol/L: 21.1895 
 
 Surface and Volume Properties
  Accessible surface: 546.733  Positive charged surface: 430.983  Negative charged surface: 115.75  Volume: 254.125
  Hydrophobic surface: 382.155  Hydrophilic surface: 164.578
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs03260274
PUBCHEM-ZINC05410609