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NCID-ZINC01628856

 MMsINC code: MMs02274541
Type: Neutral
Formula: C11H13N3O4S2
SMILES:   S(=O)(=O)(NNS(=O)(=O)NC)c1cc2c(cc1)cccc2
InChI:   InChI=1/C11H13N3O4S2/c1-12-20(17,18)14-13-19(15,16)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12-14H,1H3

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Potential Energy
Epot(MMFF94)=39.6742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.374 g/mol  logS: -3.28369  SlogP: 0.0869  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133329  Sterimol/B1: 1.99746  Sterimol/B2: 3.45997  Sterimol/B3: 5.7529
  Sterimol/B4: 6.23903  Sterimol/L: 14.2646 
 
 Surface and Volume Properties
  Accessible surface: 509.094  Positive charged surface: 261.063  Negative charged surface: 236.631  Volume: 252.5
  Hydrophobic surface: 326.355  Hydrophilic surface: 182.739
 
 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.