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CHEMDIV-ZINC06800381

 MMsINC code: MMs01028897
Type: Neutral
Formula: C16H15N3O4S2
SMILES:   s1cccc1C1=NS(=O)(=O)N(C)C(=C1)C(=O)Nc1cc(ccc1O)C
InChI:   InChI=1/C16H15N3O4S2/c1-10-5-6-14(20)11(8-10)17-16(21)13-9-12(15-4-3-7-24-15)18-25(22,23)19(13)2/h3-9,20H,1-2H3,(H,17,21)

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Potential Energy
Epot(MMFF94)=60.0758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.445 g/mol  logS: -4.4158  SlogP: 2.26402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0364795  Sterimol/B1: 2.92135  Sterimol/B2: 4.1067  Sterimol/B3: 4.96913
  Sterimol/B4: 6.2216  Sterimol/L: 16.7546 
 
 Surface and Volume Properties
  Accessible surface: 589.438  Positive charged surface: 304.823  Negative charged surface: 284.615  Volume: 316.75
  Hydrophobic surface: 428.165  Hydrophilic surface: 161.273
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.