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PUBCHEM-ZINC06691805

 MMsINC code: MMs03839363
Type: Neutral
Formula: C13H24N2O
SMILES:   O=C1N(CCCCC1)CCC1NCCCC1
InChI:   InChI=1/C13H24N2O/c16-13-7-2-1-5-10-15(13)11-8-12-6-3-4-9-14-12/h12,14H,1-11H2/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=11.006 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.348 g/mol  logS: -1.01605  SlogP: 1.9212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0650959  Sterimol/B1: 3.00764  Sterimol/B2: 3.21038  Sterimol/B3: 3.43868
  Sterimol/B4: 4.82893  Sterimol/L: 14.4807 
 
 Surface and Volume Properties
  Accessible surface: 463.622  Positive charged surface: 376.799  Negative charged surface: 86.8223  Volume: 243.625
  Hydrophobic surface: 419.006  Hydrophilic surface: 44.616
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03839364
PUBCHEM-ZINC06691805