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ENAMINE-ZINC06942732

 MMsINC code: MMs01715414
Type: Neutral
Formula: C15H18N4
SMILES:   n1ncc2c(cccc2)c1NN=C1CCCCCC1
InChI:   InChI=1/C15H18N4/c1-2-4-9-13(8-3-1)17-19-15-14-10-6-5-7-12(14)11-16-18-15/h5-7,10-11H,1-4,8-9H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=95.8472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.337 g/mol  logS: -3.80829  SlogP: 3.7519  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.03397  Sterimol/B1: 2.94165  Sterimol/B2: 3.16865  Sterimol/B3: 3.27647
  Sterimol/B4: 6.09671  Sterimol/L: 14.9074 
 
 Surface and Volume Properties
  Accessible surface: 487.736  Positive charged surface: 309.38  Negative charged surface: 167.975  Volume: 257.75
  Hydrophobic surface: 423.335  Hydrophilic surface: 64.401
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.