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PUBCHEM-ZINC00634665

 MMsINC code: MMs02717048
Type: Neutral
Formula: C20H23ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccccc2C(C)C)cc1
InChI:   InChI=1/C20H23ClN2O3S/c1-14(2)17-6-3-4-7-18(17)22-20(24)19-8-5-13-23(19)27(25,26)16-11-9-15(21)10-12-16/h3-4,6-7,9-12,14,19H,5,8,13H2,1-2H3,(H,22,24)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.1175 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.934 g/mol  logS: -5.77245  SlogP: 4.2552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12988  Sterimol/B1: 2.59993  Sterimol/B2: 5.0168  Sterimol/B3: 5.4315
  Sterimol/B4: 6.65535  Sterimol/L: 17.0229 
 
 Surface and Volume Properties
  Accessible surface: 646.863  Positive charged surface: 350.395  Negative charged surface: 296.468  Volume: 367.625
  Hydrophobic surface: 546.381  Hydrophilic surface: 100.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.