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PUBCHEM-ZINC02956254

 MMsINC code: MMs02966482
Type: Neutral
Formula: C23H19ClF3NO6S
SMILES:   Clc1ccc(S(=O)(=O)Nc2cc(C(C(=O)C(F)(F)F)C(OC(C)C)=O)c(O)c3c2c
ccc3)cc1
InChI:   InChI=1/C23H19ClF3NO6S/c1-12(2)34-22(31)19(21(30)23(25,26)27)17-11-18(15-5-3-4-6-16(15)20(17)29)28-35(32,33)14-9-7-13(24)8-10-14/h3-12,19,28-29H,1-2H3/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=103.909 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 529.919 g/mol  logS: -7.68346  SlogP: 5.5861  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.218489  Sterimol/B1: 4.60484  Sterimol/B2: 5.73605  Sterimol/B3: 5.81955
  Sterimol/B4: 6.69911  Sterimol/L: 15.5673 
 
 Surface and Volume Properties
  Accessible surface: 699.773  Positive charged surface: 302.686  Negative charged surface: 388.387  Volume: 422.125
  Hydrophobic surface: 444.815  Hydrophilic surface: 254.958
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.