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PUBCHEM-ZINC03581205

 MMsINC code: MMs03016977
Type: Neutral
Formula: C14H11F3N2O3S
SMILES:   S(=O)(=O)(N)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,(H,19,20)(H2,18,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.9307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.313 g/mol  logS: -4.41046  SlogP: 1.9477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0649911  Sterimol/B1: 2.81034  Sterimol/B2: 3.72942  Sterimol/B3: 3.93451
  Sterimol/B4: 5.72722  Sterimol/L: 16.0307 
 
 Surface and Volume Properties
  Accessible surface: 537.335  Positive charged surface: 238.942  Negative charged surface: 298.392  Volume: 267.25
  Hydrophobic surface: 360.206  Hydrophilic surface: 177.129
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03016978
PUBCHEM-ZINC03581205