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ASINEX-ZINC02537814

 MMsINC code: MMs00274495
Type: Neutral
Formula: C5H9N3
SMILES:   n1n(C)c(cc1N)C
InChI:   InChI=1/C5H9N3/c1-4-3-5(6)7-8(4)2/h3H,1-2H3,(H2,6,7)

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Potential Energy
Epot(MMFF94)=-0.535654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 111.148 g/mol  logS: -0.06046  SlogP: 0.66992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.045472  Sterimol/B1: 2.09969  Sterimol/B2: 2.40615  Sterimol/B3: 2.51178
  Sterimol/B4: 5.52243  Sterimol/L: 8.97408 
 
 Surface and Volume Properties
  Accessible surface: 296.115  Positive charged surface: 220.766  Negative charged surface: 75.3492  Volume: 117.375
  Hydrophobic surface: 189.797  Hydrophilic surface: 106.318
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.