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CHEMBRIDGE-ZINC01739177

 MMsINC code: MMs00695188
Type: Neutral
Formula: C13H25N3O
SMILES:   O=C(NC1CCCCC1)NCCN1CCCC1
InChI:   InChI=1/C13H25N3O/c17-13(15-12-6-2-1-3-7-12)14-8-11-16-9-4-5-10-16/h12H,1-11H2,(H2,14,15,17)

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Potential Energy
Epot(MMFF94)=-5.62803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.363 g/mol  logS: -1.52574  SlogP: 1.7141  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0492938  Sterimol/B1: 3.35338  Sterimol/B2: 3.43484  Sterimol/B3: 3.48204
  Sterimol/B4: 3.74188  Sterimol/L: 17.2426 
 
 Surface and Volume Properties
  Accessible surface: 514.873  Positive charged surface: 429.499  Negative charged surface: 85.374  Volume: 257.75
  Hydrophobic surface: 445.777  Hydrophilic surface: 69.096
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs00695189
CHEMBRIDGE-ZINC01739177