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CHEMDIV-ZINC06875207

 MMsINC code: MMs01050627
Type: Neutral
Formula: C18H20N2O4S2
SMILES:   s1cccc1CNC(=O)C(N1Cc2c(cccc2)C1=O)CCS(=O)(=O)C
InChI:   InChI=1/C18H20N2O4S2/c1-26(23,24)10-8-16(17(21)19-11-14-6-4-9-25-14)20-12-13-5-2-3-7-15(13)18(20)22/h2-7,9,16H,8,10-12H2,1H3,(H,19,21)/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=67.4279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.5 g/mol  logS: -3.6075  SlogP: 2.3564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0908199  Sterimol/B1: 2.46683  Sterimol/B2: 3.58189  Sterimol/B3: 4.2417
  Sterimol/B4: 9.30404  Sterimol/L: 17.5656 
 
 Surface and Volume Properties
  Accessible surface: 650.404  Positive charged surface: 333.344  Negative charged surface: 317.059  Volume: 348
  Hydrophobic surface: 517.53  Hydrophilic surface: 132.874
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.