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NCID-ZINC04430291

 MMsINC code: MMs02388171
Type: Neutral
Formula: C10H15N5
SMILES:   [nH]1ncc2c1ncnc2N(CCCC)C
InChI:   InChI=1/C10H15N5/c1-3-4-5-15(2)10-8-6-13-14-9(8)11-7-12-10/h6-7H,3-5H2,1-2H3,(H,11,12,13,14)

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Potential Energy
Epot(MMFF94)=77.7016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.265 g/mol  logS: -2.61783  SlogP: 1.5892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0463639  Sterimol/B1: 2.52205  Sterimol/B2: 3.67465  Sterimol/B3: 3.79612
  Sterimol/B4: 5.06439  Sterimol/L: 14.1696 
 
 Surface and Volume Properties
  Accessible surface: 425.316  Positive charged surface: 339.489  Negative charged surface: 80.8921  Volume: 204.75
  Hydrophobic surface: 273.174  Hydrophilic surface: 152.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.