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ASINEX-ZINC00886408

MMsINC code: MMs00208090

Type: Neutral
Formula: C15H13ClF3N3O3S
SMILES:   Clc1ccc(N(S(=O)(=O)C)CC(=O)Nc2cccnc2)cc1C(F)(F)F
InChI:   InChI=1/C15H13ClF3N3O3S/c1-26(24,25)22(9-14(23)21-10-3-2-6-20-8-10)11-4-5-13(16)12(7-11)15(17,18)19/h2-8H,9H2,1H3,(H,21,23)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=103.393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.8 g/mol  logS: -3.82757  SlogP: 3.47  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113442  Sterimol/B1: 2.47835  Sterimol/B2: 3.29913  Sterimol/B3: 4.3295
  Sterimol/B4: 9.41152  Sterimol/L: 14.7166 
 
 Surface and Volume Properties
  Accessible surface: 573.328  Positive charged surface: 263.342  Negative charged surface: 309.986  Volume: 314.5
  Hydrophobic surface: 377.455  Hydrophilic surface: 195.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1

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Ions/Tautomers related molecules: no related molecules available.