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ACROSORGANICS-ZINC04674340

 MMsINC code: MMs00018459
Type: Neutral
Formula: C3H5N3
SMILES:   [nH]1nc(N)cc1
InChI:   InChI=1/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-5.32988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 83.094 g/mol  logS: 0.14694  SlogP: -0.0081  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.84328e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09823  Sterimol/B3: 2.51828
  Sterimol/B4: 4.14157  Sterimol/L: 7.83751 
 
 Surface and Volume Properties
  Accessible surface: 239.008  Positive charged surface: 150.257  Negative charged surface: 88.7514  Volume: 79.875
  Hydrophobic surface: 63.8627  Hydrophilic surface: 175.1453
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.