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CHEMDIV-ZINC05004837

 MMsINC code: MMs00977732
Type: Neutral
Formula: C19H15N3O3S
SMILES:   S(C)c1cc(NC(=O)Cn2ncc3c2-c2c(OC3=O)cccc2)ccc1
InChI:   InChI=1/C19H15N3O3S/c1-26-13-6-4-5-12(9-13)21-17(23)11-22-18-14-7-2-3-8-16(14)25-19(24)15(18)10-20-22/h2-10H,11H2,1H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=108.261 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.413 g/mol  logS: -6.00824  SlogP: 3.7097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0794429  Sterimol/B1: 3.73872  Sterimol/B2: 4.07733  Sterimol/B3: 5.42223
  Sterimol/B4: 5.58619  Sterimol/L: 17.2697 
 
 Surface and Volume Properties
  Accessible surface: 595.637  Positive charged surface: 323.818  Negative charged surface: 271.819  Volume: 326.75
  Hydrophobic surface: 429.053  Hydrophilic surface: 166.584
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.