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PUBCHEM-ZINC04877057

 MMsINC code: MMs03180890
Type: Neutral
Formula: C10H15N5
SMILES:   [nH]1ncc2c1nc(nc2NCCCC)C
InChI:   InChI=1/C10H15N5/c1-3-4-5-11-9-8-6-12-15-10(8)14-7(2)13-9/h6H,3-5H2,1-2H3,(H2,11,12,13,14,15)

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Potential Energy
Epot(MMFF94)=22.2009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.265 g/mol  logS: -2.47917  SlogP: 1.87332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0242362  Sterimol/B1: 2.37578  Sterimol/B2: 2.5122  Sterimol/B3: 4.79225
  Sterimol/B4: 5.03118  Sterimol/L: 13.9838 
 
 Surface and Volume Properties
  Accessible surface: 446.831  Positive charged surface: 340.853  Negative charged surface: 99.9951  Volume: 205.125
  Hydrophobic surface: 311.27  Hydrophilic surface: 135.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.