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CHEMDIV-ZINC04034467

 MMsINC code: MMs00923227
Type: Neutral
Formula: C14H26N2O
SMILES:   O=C(NC1CCCCC1)N1CCCCCCC1
InChI:   InChI=1/C14H26N2O/c17-14(15-13-9-5-4-6-10-13)16-11-7-2-1-3-8-12-16/h13H,1-12H2,(H,15,17)

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Potential Energy
Epot(MMFF94)=26.6249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.375 g/mol  logS: -2.44062  SlogP: 3.2948  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145229  Sterimol/B1: 2.73878  Sterimol/B2: 3.30221  Sterimol/B3: 4.99708
  Sterimol/B4: 5.17601  Sterimol/L: 13.4831 
 
 Surface and Volume Properties
  Accessible surface: 467.263  Positive charged surface: 377.931  Negative charged surface: 89.3315  Volume: 257.25
  Hydrophobic surface: 441.964  Hydrophilic surface: 25.299
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.