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CHEMDIV-ZINC02278573

 MMsINC code: MMs00872943
Type: Neutral
Formula: C18H15NO3S2
SMILES:   s1cccc1-c1csc(NC(=O)CCc2ccccc2)c1C(O)=O
InChI:   InChI=1/C18H15NO3S2/c20-15(9-8-12-5-2-1-3-6-12)19-17-16(18(21)22)13(11-24-17)14-7-4-10-23-14/h1-7,10-11H,8-9H2,(H,19,20)(H,21,22)

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Potential Energy
Epot(MMFF94)=65.3826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.454 g/mol  logS: -5.2816  SlogP: 4.74607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0364566  Sterimol/B1: 3.49775  Sterimol/B2: 3.88724  Sterimol/B3: 4.07689
  Sterimol/B4: 4.9494  Sterimol/L: 19.4454 
 
 Surface and Volume Properties
  Accessible surface: 603.13  Positive charged surface: 290.8  Negative charged surface: 312.33  Volume: 317.25
  Hydrophobic surface: 490.523  Hydrophilic surface: 112.607
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00872944
CHEMDIV-ZINC02278573