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ENAMINE-ZINC03339134

 MMsINC code: MMs01381974
Type: Tautomer
Formula: C19H24FN3O3S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)CCNC(C(=O)NCCc1ccc(F)cc1)C
InChI:   InChI=1/C19H24FN3O3S/c1-14(19(24)23-13-11-15-2-6-17(20)7-3-15)22-12-10-16-4-8-18(9-5-16)27(21,25)26/h2-9,14,22H,10-13H2,1H3,(H,23,24)(H2,21,25,26)/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.8333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.483 g/mol  logS: -4.03759  SlogP: 1.35254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0254697  Sterimol/B1: 2.08313  Sterimol/B2: 3.02311  Sterimol/B3: 4.08322
  Sterimol/B4: 6.61026  Sterimol/L: 23.478 
 
 Surface and Volume Properties
  Accessible surface: 697.224  Positive charged surface: 398.771  Negative charged surface: 298.454  Volume: 362.375
  Hydrophobic surface: 490.675  Hydrophilic surface: 206.549
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  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:


MMs01381973
ENAMINE-ZINC03339134