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ACROSORGANICS-ZINC05425214

 MMsINC code: MMs00018763
Type: Neutral
Formula: C4H7N5O4S
SMILES:   S(Oc1nc(nc(N)c1N)N)(O)(=O)=O
InChI:   InChI=1/C4H7N5O4S/c5-1-2(6)8-4(7)9-3(1)13-14(10,11)12/h5H2,(H,10,11,12)(H4,6,7,8,9)

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Potential Energy
Epot(MMFF94)=-2.12054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.197 g/mol  logS: -0.85749  SlogP: -2.1609  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0730579  Sterimol/B1: 2.51039  Sterimol/B2: 3.30818  Sterimol/B3: 3.36832
  Sterimol/B4: 5.87539  Sterimol/L: 10.5417 
 
 Surface and Volume Properties
  Accessible surface: 356.556  Positive charged surface: 210.984  Negative charged surface: 145.573  Volume: 151.5
  Hydrophobic surface: 5.35066  Hydrophilic surface: 351.20534
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 5  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


MMs00018764
ACROSORGANICS-ZINC05425214