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NCID-ZINC01635780

 MMsINC code: MMs02279448
Type: Neutral
Formula: C7H11N3O4S2
SMILES:   S(=O)(=O)(N)c1cc(cc(S(=O)(=O)N)c1N)C
InChI:   InChI=1/C7H11N3O4S2/c1-4-2-5(15(9,11)12)7(8)6(3-4)16(10,13)14/h2-3H,8H2,1H3,(H2,9,11,12)(H2,10,13,14)

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Potential Energy
Epot(MMFF94)=2.54371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.314 g/mol  logS: -2.0329  SlogP: -1.12798  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127968  Sterimol/B1: 1.969  Sterimol/B2: 3.35915  Sterimol/B3: 3.3635
  Sterimol/B4: 7.6156  Sterimol/L: 10.9802 
 
 Surface and Volume Properties
  Accessible surface: 416.937  Positive charged surface: 209.441  Negative charged surface: 207.497  Volume: 197.375
  Hydrophobic surface: 142.18  Hydrophilic surface: 274.757
 
 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


MMs02279449
NCID-ZINC01635780