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ENAMINE-ZINC03434401

 MMsINC code: MMs01439642
Type: Neutral
Formula: C15H15F2N3O3S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)CCNC(=O)Nc1ccc(F)cc1F
InChI:   InChI=1/C15H15F2N3O3S/c16-11-3-6-14(13(17)9-11)20-15(21)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H2,19,20,21)

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Potential Energy
Epot(MMFF94)=18.0555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.365 g/mol  logS: -4.07413  SlogP: 1.97637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0369387  Sterimol/B1: 2.72385  Sterimol/B2: 2.93435  Sterimol/B3: 4.72783
  Sterimol/B4: 5.20914  Sterimol/L: 19.5945 
 
 Surface and Volume Properties
  Accessible surface: 580.561  Positive charged surface: 304.414  Negative charged surface: 276.147  Volume: 291.875
  Hydrophobic surface: 384.58  Hydrophilic surface: 195.981
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01439643
ENAMINE-ZINC03434401