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NCID-ZINC04429049

 MMsINC code: MMs02387209
Type: Neutral
Formula: C15H20N4
SMILES:   n1cc(ccc1N(C)C)Cc1ccc(nc1)N(C)C
InChI:   InChI=1/C15H20N4/c1-18(2)14-7-5-12(10-16-14)9-13-6-8-15(17-11-13)19(3)4/h5-8,10-11H,9H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.5255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.353 g/mol  logS: -1.14887  SlogP: 2.19937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129848  Sterimol/B1: 2.61241  Sterimol/B2: 2.6819  Sterimol/B3: 4.80302
  Sterimol/B4: 5.71066  Sterimol/L: 15.2122 
 
 Surface and Volume Properties
  Accessible surface: 518.329  Positive charged surface: 451.638  Negative charged surface: 66.6906  Volume: 272.75
  Hydrophobic surface: 490.748  Hydrophilic surface: 27.581
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02387210
NCID-ZINC04429049