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PUBCHEM-ZINC06869551

 MMsINC code: MMs03883622
Type: Neutral
Formula: C15H24N4
SMILES:   n1c2cc(C)c(cc2n(CCN(CC)CC)c1N)C
InChI:   InChI=1/C15H24N4/c1-5-18(6-2)7-8-19-14-10-12(4)11(3)9-13(14)17-15(19)16/h9-10H,5-8H2,1-4H3,(H2,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.4342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.385 g/mol  logS: -3.52136  SlogP: 2.84354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0705731  Sterimol/B1: 2.17096  Sterimol/B2: 2.36849  Sterimol/B3: 4.57908
  Sterimol/B4: 8.45212  Sterimol/L: 14.9785 
 
 Surface and Volume Properties
  Accessible surface: 530.914  Positive charged surface: 374.734  Negative charged surface: 156.18  Volume: 282.5
  Hydrophobic surface: 395.407  Hydrophilic surface: 135.507
 
 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


MMs03883623
PUBCHEM-ZINC06869551