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ENAMINE-ZINC03359139

 MMsINC code: MMs01394743
Type: Neutral
Formula: C17H16ClF3N2O4S2
SMILES:   Clc1ccc(NC(=O)Cc2sc(S(=O)(=O)N3CCOCC3)cc2)cc1C(F)(F)F
InChI:   InChI=1/C17H16ClF3N2O4S2/c18-14-3-1-11(9-13(14)17(19,20)21)22-15(24)10-12-2-4-16(28-12)29(25,26)23-5-7-27-8-6-23/h1-4,9H,5-8,10H2,(H,22,24)

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Potential Energy
Epot(MMFF94)=94.039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.904 g/mol  logS: -5.53015  SlogP: 3.93387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0408759  Sterimol/B1: 3.25128  Sterimol/B2: 3.68445  Sterimol/B3: 4.23076
  Sterimol/B4: 5.15022  Sterimol/L: 20.0273 
 
 Surface and Volume Properties
  Accessible surface: 657.888  Positive charged surface: 324.251  Negative charged surface: 333.636  Volume: 360.5
  Hydrophobic surface: 457.327  Hydrophilic surface: 200.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: no related molecules available.