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ASINEX-ZINC01816285

 MMsINC code: MMs00258460
Type: Neutral
Formula: C19H21ClN2O3S
SMILES:   Clc1ccccc1C(=O)Nc1sc2c(CCCC2)c1C(=O)NCCOC
InChI:   InChI=1/C19H21ClN2O3S/c1-25-11-10-21-18(24)16-13-7-3-5-9-15(13)26-19(16)22-17(23)12-6-2-4-8-14(12)20/h2,4,6,8H,3,5,7,9-11H2,1H3,(H,21,24)(H,22,23)

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Potential Energy
Epot(MMFF94)=86.38 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.907 g/mol  logS: -5.43175  SlogP: 3.90874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0779549  Sterimol/B1: 2.27545  Sterimol/B2: 2.48021  Sterimol/B3: 5.71322
  Sterimol/B4: 11.1466  Sterimol/L: 15.9534 
 
 Surface and Volume Properties
  Accessible surface: 656.733  Positive charged surface: 428.412  Negative charged surface: 228.321  Volume: 355.25
  Hydrophobic surface: 594.025  Hydrophilic surface: 62.708
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.