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PUBCHEM-ZINC03581205

MMsINC code: MMs03016978

Type: Ionized
Formula: C14H10F3N2O3S-
SMILES:   S(=O)([O-])(=[NH])c1ccc(cc1)C(=O)NCc1cc(F)c(F)c(F)c1
InChI:   InChI=1/C14H11F3N2O3S/c15-11-5-8(6-12(16)13(11)17)7-19-14(20)9-1-3-10(4-2-9)23(18,21)22/h1-6H,7H2,(H3,18,19,20,21,22)/p-1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=42.9163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.305 g/mol  logS: -4.43485  SlogP: 2.2719  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0790846  Sterimol/B1: 3.01838  Sterimol/B2: 3.8832  Sterimol/B3: 3.90289
  Sterimol/B4: 5.59886  Sterimol/L: 15.996 
 
 Surface and Volume Properties
  Accessible surface: 530.42  Positive charged surface: 214.622  Negative charged surface: 315.798  Volume: 266.375
  Hydrophobic surface: 374.341  Hydrophilic surface: 156.079
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 3  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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MMs03016977
PUBCHEM-ZINC03581205