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ASINEX-ZINC00639079

 MMsINC code: MMs00144491
Type: Neutral
Formula: C19H15ClO3S
SMILES:   Clc1ccc(Oc2ccc(S(=O)(=O)c3ccc(cc3)C)cc2)cc1
InChI:   InChI=1/C19H15ClO3S/c1-14-2-10-18(11-3-14)24(21,22)19-12-8-17(9-13-19)23-16-6-4-15(20)5-7-16/h2-13H,1H3

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Potential Energy
Epot(MMFF94)=83.7476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.845 g/mol  logS: -6.34035  SlogP: 5.27352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0850455  Sterimol/B1: 2.7365  Sterimol/B2: 3.06919  Sterimol/B3: 5.21549
  Sterimol/B4: 7.11807  Sterimol/L: 17.3678 
 
 Surface and Volume Properties
  Accessible surface: 595.748  Positive charged surface: 268.076  Negative charged surface: 327.672  Volume: 322.625
  Hydrophobic surface: 537.687  Hydrophilic surface: 58.061
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.