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ASINEX-ZINC00369439

 MMsINC code: MMs00125358
Type: Neutral
Formula: C9H14N6O2
SMILES:   O=C1NC(=O)N(c2nc(n(c12)CCC)NN)C
InChI:   InChI=1/C9H14N6O2/c1-3-4-15-5-6(11-8(15)13-10)14(2)9(17)12-7(5)16/h3-4,10H2,1-2H3,(H,11,13)(H,12,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-6.41835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.251 g/mol  logS: -1.62585  SlogP: 0.1447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.055048  Sterimol/B1: 2.43873  Sterimol/B2: 3.14612  Sterimol/B3: 3.42711
  Sterimol/B4: 7.00441  Sterimol/L: 12.5073 
 
 Surface and Volume Properties
  Accessible surface: 435.763  Positive charged surface: 321.495  Negative charged surface: 114.268  Volume: 210.5
  Hydrophobic surface: 187.44  Hydrophilic surface: 248.323
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.