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ENAMINE-ZINC03299161

 MMsINC code: MMs01357545
Type: Neutral
Formula: C24H21ClFN3O3S
SMILES:   Clc1ccc(S(=O)(=O)NC(Cc2c3c([nH]c2)cccc3)C(=O)NCc2ccccc2F)cc1
InChI:   InChI=1/C24H21ClFN3O3S/c25-18-9-11-19(12-10-18)33(31,32)29-23(13-17-15-27-22-8-4-2-6-20(17)22)24(30)28-14-16-5-1-3-7-21(16)26/h1-12,15,23,27,29H,13-14H2,(H,28,30)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.1574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 485.967 g/mol  logS: -6.31187  SlogP: 4.43277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.312178  Sterimol/B1: 2.18962  Sterimol/B2: 4.42172  Sterimol/B3: 6.18673
  Sterimol/B4: 9.29554  Sterimol/L: 14.2559 
 
 Surface and Volume Properties
  Accessible surface: 693.139  Positive charged surface: 326.909  Negative charged surface: 362.998  Volume: 423.625
  Hydrophobic surface: 564.753  Hydrophilic surface: 128.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.