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PUBCHEM-ZINC01639692

 MMsINC code: MMs02817362
Type: Neutral
Formula: C6H11N5
SMILES:   n1c(N)c(N)cnc1N(C)C
InChI:   InChI=1/C6H11N5/c1-11(2)6-9-3-4(7)5(8)10-6/h3H,7H2,1-2H3,(H2,8,9,10)

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Potential Energy
Epot(MMFF94)=27.0311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.189 g/mol  logS: -0.56991  SlogP: -0.293  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0218823  Sterimol/B1: 2.5131  Sterimol/B2: 2.51311  Sterimol/B3: 2.99341
  Sterimol/B4: 5.18194  Sterimol/L: 10.6759 
 
 Surface and Volume Properties
  Accessible surface: 350.122  Positive charged surface: 318.274  Negative charged surface: 31.8477  Volume: 151.375
  Hydrophobic surface: 206.198  Hydrophilic surface: 143.924
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.