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FDA-ZINC00897222

 MMsINC code: MMs01725346
Type: Ionized
Formula: C15H13F3N3O4S2-
SMILES:   S(=O)([O-])(=[NH])c1cc2S(=O)(=O)NC(Nc2cc1C(F)(F)F)Cc1ccccc1
InChI:   InChI=1/C15H13F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H-,19,22,23)/q-1/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.85202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.412 g/mol  logS: -4.18581  SlogP: 2.26107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0705505  Sterimol/B1: 3.14753  Sterimol/B2: 3.37741  Sterimol/B3: 3.53489
  Sterimol/B4: 7.341  Sterimol/L: 15.6486 
 
 Surface and Volume Properties
  Accessible surface: 563.149  Positive charged surface: 215.953  Negative charged surface: 347.196  Volume: 312.625
  Hydrophobic surface: 282.081  Hydrophilic surface: 281.068
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  Acid groups: 3  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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Parent related molecule:


MMs01725345
FDA-ZINC00897222