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PUBCHEM-ZINC01083585

 MMsINC code: MMs02766328
Type: Neutral
Formula: C24H22ClN3O3S
SMILES:   Clc1ccc(S(=O)(=O)NCCc2c3c([nH]c2C)cccc3)cc1C(=O)Nc1ccccc1
InChI:   InChI=1/C24H22ClN3O3S/c1-16-19(20-9-5-6-10-23(20)27-16)13-14-26-32(30,31)18-11-12-22(25)21(15-18)24(29)28-17-7-3-2-4-8-17/h2-12,15,26-27H,13-14H2,1H3,(H,28,29)

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Potential Energy
Epot(MMFF94)=82.2844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 467.977 g/mol  logS: -6.3598  SlogP: 4.90299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.24719  Sterimol/B1: 2.07568  Sterimol/B2: 5.08047  Sterimol/B3: 7.85867
  Sterimol/B4: 8.53347  Sterimol/L: 14.7639 
 
 Surface and Volume Properties
  Accessible surface: 743.606  Positive charged surface: 376.744  Negative charged surface: 362.143  Volume: 419.125
  Hydrophobic surface: 606.589  Hydrophilic surface: 137.017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.