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MAYBRIDGE-ZINC02143908

 MMsINC code: MMs02158344
Type: Neutral
Formula: C17H23F3N2O2S
SMILES:   S(Cc1cc(ccc1)C(F)(F)F)CCNC(=O)N1CC(OC(C1)C)C
InChI:   InChI=1/C17H23F3N2O2S/c1-12-9-22(10-13(2)24-12)16(23)21-6-7-25-11-14-4-3-5-15(8-14)17(18,19)20/h3-5,8,12-13H,6-7,9-11H2,1-2H3,(H,21,23)/t12-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=66.9247 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.443 g/mol  logS: -4.26057  SlogP: 4.3353  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0583592  Sterimol/B1: 2.8722  Sterimol/B2: 3.00696  Sterimol/B3: 5.44962
  Sterimol/B4: 5.92597  Sterimol/L: 19.2383 
 
 Surface and Volume Properties
  Accessible surface: 639.928  Positive charged surface: 380.918  Negative charged surface: 259.01  Volume: 337.5
  Hydrophobic surface: 417.677  Hydrophilic surface: 222.251
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.