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ENAMINE-ZINC07006540

 MMsINC code: MMs01719590
Type: Neutral
Formula: C16H15F3N2O3S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)CCNC(=O)c1ccc(cc1)C(F)(F)F
InChI:   InChI=1/C16H15F3N2O3S/c17-16(18,19)13-5-3-12(4-6-13)15(22)21-10-9-11-1-7-14(8-2-11)25(20,23)24/h1-8H,9-10H2,(H,21,22)(H2,20,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.1211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.367 g/mol  logS: -4.64354  SlogP: 2.63677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0321565  Sterimol/B1: 2.43045  Sterimol/B2: 3.34707  Sterimol/B3: 4.3941
  Sterimol/B4: 4.81714  Sterimol/L: 19.9316 
 
 Surface and Volume Properties
  Accessible surface: 592.804  Positive charged surface: 260.977  Negative charged surface: 331.827  Volume: 302
  Hydrophobic surface: 316.161  Hydrophilic surface: 276.643
 
 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


MMs01719591
ENAMINE-ZINC07006540