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ENAMINE-ZINC03299159

 MMsINC code: MMs01357543
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-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.4098 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: 0.16746  Sterimol/B1: 3.846  Sterimol/B2: 4.77878  Sterimol/B3: 5.41832
  Sterimol/B4: 7.04272  Sterimol/L: 16.3335 
 
 Surface and Volume Properties
  Accessible surface: 680.653  Positive charged surface: 350.254  Negative charged surface: 327.555  Volume: 425.375
  Hydrophobic surface: 540.467  Hydrophilic surface: 140.186
 
 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.