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CHEMSTAR-ZINC02490594

 MMsINC code: MMs01081482
Type: Neutral
Formula: C10H10N2O5S2
SMILES:   S(=O)(=O)(N)c1cc(O)c2c(c1)cc(S(=O)(=O)N)cc2
InChI:   InChI=1/C10H10N2O5S2/c11-18(14,15)7-1-2-9-6(3-7)4-8(5-10(9)13)19(12,16)17/h1-5,13H,(H2,11,14,15)(H2,12,16,17)

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Potential Energy
Epot(MMFF94)=-4.16173 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.331 g/mol  logS: -3.35403  SlogP: -0.1598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0640236  Sterimol/B1: 3.10025  Sterimol/B2: 3.12122  Sterimol/B3: 3.79894
  Sterimol/B4: 5.31294  Sterimol/L: 13.3984 
 
 Surface and Volume Properties
  Accessible surface: 462.457  Positive charged surface: 215.055  Negative charged surface: 236.331  Volume: 225.75
  Hydrophobic surface: 154.788  Hydrophilic surface: 307.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01081483
CHEMSTAR-ZINC02490594