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CHEMSTAR-ZINC03183772

 MMsINC code: MMs01085299
Type: Neutral
Formula: C18H18F3NO5S
SMILES:   S(=O)(=O)(N(C)c1ccc(cc1)C(O)(C(OCC)=O)C(F)(F)F)c1ccccc1
InChI:   InChI=1/C18H18F3NO5S/c1-3-27-16(23)17(24,18(19,20)21)13-9-11-14(12-10-13)22(2)28(25,26)15-7-5-4-6-8-15/h4-12,24H,3H2,1-2H3/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=103.556 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.404 g/mol  logS: -4.71169  SlogP: 3.5561  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0904947  Sterimol/B1: 3.59255  Sterimol/B2: 3.87368  Sterimol/B3: 4.23464
  Sterimol/B4: 7.21942  Sterimol/L: 16.0461 
 
 Surface and Volume Properties
  Accessible surface: 626.712  Positive charged surface: 334.435  Negative charged surface: 292.277  Volume: 344.5
  Hydrophobic surface: 416.344  Hydrophilic surface: 210.368
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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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Ions/Tautomers related molecules: no related molecules available.