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CHEMDIV-ZINC06892759

MMsINC code: MMs01054347

Type: Neutral
Formula: C16H15ClN2O3S2
SMILES:   Clc1ccccc1CNS(=O)(=O)c1cc2NC(=O)C(Sc2cc1)C
InChI:   InChI=1/C16H15ClN2O3S2/c1-10-16(20)19-14-8-12(6-7-15(14)23-10)24(21,22)18-9-11-4-2-3-5-13(11)17/h2-8,10,18H,9H2,1H3,(H,19,20)/t10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=40.3315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.892 g/mol  logS: -5.42459  SlogP: 3.5176  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.090905  Sterimol/B1: 2.65491  Sterimol/B2: 3.92608  Sterimol/B3: 4.21811
  Sterimol/B4: 7.49733  Sterimol/L: 15.8694 
 
 Surface and Volume Properties
  Accessible surface: 574.279  Positive charged surface: 267.565  Negative charged surface: 306.713  Volume: 317.875
  Hydrophobic surface: 373.891  Hydrophilic surface: 200.388
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.