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NCID-ZINC01579056

 MMsINC code: MMs02236914
Type: Neutral
Formula: C10H21N5+2
SMILES:   [N+](C)(C)(C)c1nc(nc([N+](C)(C)C)c1)N
InChI:   InChI=1/C10H21N5/c1-14(2,3)8-7-9(15(4,5)6)13-10(11)12-8/h7H,1-6H3,(H2,11,12,13)/q+2

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Potential Energy
Epot(MMFF94)=-6.56752 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.313 g/mol  logS: -0.82694  SlogP: 0.4522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15843  Sterimol/B1: 2.21189  Sterimol/B2: 2.72142  Sterimol/B3: 4.88777
  Sterimol/B4: 6.52461  Sterimol/L: 11.8594 
 
 Surface and Volume Properties
  Accessible surface: 436.652  Positive charged surface: 422.248  Negative charged surface: 14.4034  Volume: 224
  Hydrophobic surface: 246.794  Hydrophilic surface: 189.858
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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.