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ASINEX-ZINC00918573

 MMsINC code: MMs00219983
Type: Neutral
Formula: C23H21ClN2O4S2
SMILES:   Clc1ccccc1S(=O)(=O)N(CC1=Cc2cc(OCC)ccc2NC1=O)Cc1sccc1
InChI:   InChI=1/C23H21ClN2O4S2/c1-2-30-18-9-10-21-16(13-18)12-17(23(27)25-21)14-26(15-19-6-5-11-31-19)32(28,29)22-8-4-3-7-20(22)24/h3-13H,2,14-15H2,1H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=80.6895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 489.016 g/mol  logS: -6.61913  SlogP: 5.2932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0768628  Sterimol/B1: 3.37977  Sterimol/B2: 5.10164  Sterimol/B3: 5.79665
  Sterimol/B4: 6.13112  Sterimol/L: 19.4807 
 
 Surface and Volume Properties
  Accessible surface: 682.245  Positive charged surface: 371.079  Negative charged surface: 311.166  Volume: 420
  Hydrophobic surface: 546.8  Hydrophilic surface: 135.445
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.