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NCID-ZINC01577957

 MMsINC code: MMs02236110
Type: Neutral
Formula: C7H17N4+
SMILES:   [NH2+]=C(NC1CCCCC1)NN
InChI:   InChI=1/C7H16N4/c8-7(11-9)10-6-4-2-1-3-5-6/h6H,1-5,9H2,(H3,8,10,11)/p+1

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Potential Energy
Epot(MMFF94)=-7.73218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.241 g/mol  logS: -1.33776  SlogP: -1.5129  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0897745  Sterimol/B1: 2.87604  Sterimol/B2: 3.41915  Sterimol/B3: 3.42869
  Sterimol/B4: 3.86284  Sterimol/L: 12.3225 
 
 Surface and Volume Properties
  Accessible surface: 370.975  Positive charged surface: 313.99  Negative charged surface: 56.985  Volume: 169.375
  Hydrophobic surface: 207.626  Hydrophilic surface: 163.349
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 3
  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


MMs02236111
NCID-ZINC01577957