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NCID-ZINC01577348

 MMsINC code: MMs02235613
Type: Neutral
Formula: C10H15N5
SMILES:   n1cnc2n(ncc2c1NCC(C)C)C
InChI:   InChI=1/C10H15N5/c1-7(2)4-11-9-8-5-14-15(3)10(8)13-6-12-9/h5-7H,4H2,1-3H3,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=28.4879 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.265 g/mol  logS: -2.06744  SlogP: 1.7904  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0376123  Sterimol/B1: 2.4205  Sterimol/B2: 2.67942  Sterimol/B3: 3.58416
  Sterimol/B4: 6.16127  Sterimol/L: 14.1046 
 
 Surface and Volume Properties
  Accessible surface: 439.644  Positive charged surface: 354.425  Negative charged surface: 79.5367  Volume: 205.625
  Hydrophobic surface: 309.782  Hydrophilic surface: 129.862
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.