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ENAMINE-ZINC02633340

 MMsINC code: MMs01263824
Type: Neutral
Formula: C24H23ClN2O3S
SMILES:   Clc1ccc(cc1)CNC(=O)c1cc(S(=O)(=O)NC2CCCc3c2cccc3)ccc1
InChI:   InChI=1/C24H23ClN2O3S/c25-20-13-11-17(12-14-20)16-26-24(28)19-7-3-8-21(15-19)31(29,30)27-23-10-4-6-18-5-1-2-9-22(18)23/h1-3,5,7-9,11-15,23,27H,4,6,10,16H2,(H,26,28)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.1782 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.978 g/mol  logS: -6.53994  SlogP: 4.98777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0667652  Sterimol/B1: 2.80244  Sterimol/B2: 3.73478  Sterimol/B3: 5.12065
  Sterimol/B4: 7.06661  Sterimol/L: 21.3133 
 
 Surface and Volume Properties
  Accessible surface: 718.045  Positive charged surface: 363.903  Negative charged surface: 354.142  Volume: 412.25
  Hydrophobic surface: 600.715  Hydrophilic surface: 117.33
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.