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NCID-ZINC01708463

 MMsINC code: MMs02336277
Type: Neutral
Formula: C15H25N3O
SMILES:   O=C1N(C2CCCCC2)C(=NC1)NC1CCCCC1
InChI:   InChI=1/C15H25N3O/c19-14-11-16-15(17-12-7-3-1-4-8-12)18(14)13-9-5-2-6-10-13/h12-13H,1-11H2,(H,16,17)

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Potential Energy
Epot(MMFF94)=-3.82014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.385 g/mol  logS: -3.07154  SlogP: 2.4396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110267  Sterimol/B1: 2.82326  Sterimol/B2: 3.44082  Sterimol/B3: 4.03716
  Sterimol/B4: 6.39901  Sterimol/L: 14.4067 
 
 Surface and Volume Properties
  Accessible surface: 513.544  Positive charged surface: 407.584  Negative charged surface: 105.961  Volume: 273.875
  Hydrophobic surface: 462.019  Hydrophilic surface: 51.525
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.