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CHEMDIV-ZINC02692661

 MMsINC code: MMs00884575
Type: Neutral
Formula: C23H17NO4S
SMILES:   S(=O)(=O)(c1c2c(ncc1C(=O)c1ccccc1)cccc2)c1ccc(OC)cc1
InChI:   InChI=1/C23H17NO4S/c1-28-17-11-13-18(14-12-17)29(26,27)23-19-9-5-6-10-21(19)24-15-20(23)22(25)16-7-3-2-4-8-16/h2-15H,1H3

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Potential Energy
Epot(MMFF94)=127.803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.458 g/mol  logS: -6.06116  SlogP: 4.3072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127437  Sterimol/B1: 2.97475  Sterimol/B2: 4.10912  Sterimol/B3: 4.27228
  Sterimol/B4: 9.13347  Sterimol/L: 16.2249 
 
 Surface and Volume Properties
  Accessible surface: 613.462  Positive charged surface: 346.075  Negative charged surface: 264.026  Volume: 363.375
  Hydrophobic surface: 528.063  Hydrophilic surface: 85.399
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.