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PUBCHEM-ZINC00059901

 MMsINC code: MMs02630893
Type: Neutral
Formula: C10H14N4
SMILES:   n1n(c(N)c(c1)C#N)C1CCCCC1
InChI:   InChI=1/C10H14N4/c11-6-8-7-13-14(10(8)12)9-4-2-1-3-5-9/h7,9H,1-5,12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.8364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.25 g/mol  logS: -1.56914  SlogP: 1.93768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158502  Sterimol/B1: 2.39756  Sterimol/B2: 3.62275  Sterimol/B3: 3.6256
  Sterimol/B4: 5.51142  Sterimol/L: 13.4065 
 
 Surface and Volume Properties
  Accessible surface: 404.377  Positive charged surface: 290.326  Negative charged surface: 114.051  Volume: 192.875
  Hydrophobic surface: 267.428  Hydrophilic surface: 136.949
 
 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.