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ASINEX-ZINC00918256

 MMsINC code: MMs00219776
Type: Neutral
Formula: C23H19F3N2O4S2
SMILES:   s1cccc1CN(S(=O)(=O)c1cc(ccc1)C(F)(F)F)CC1=Cc2cc(OC)ccc2NC1=O
InChI:   InChI=1/C23H19F3N2O4S2/c1-32-18-7-8-21-15(11-18)10-16(22(29)27-21)13-28(14-19-5-3-9-33-19)34(30,31)20-6-2-4-17(12-20)23(24,25)26/h2-12H,13-14H2,1H3,(H,27,29)

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Potential Energy
Epot(MMFF94)=74.6371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 508.541 g/mol  logS: -6.61418  SlogP: 5.58  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0501797  Sterimol/B1: 3.17195  Sterimol/B2: 3.74107  Sterimol/B3: 4.30454
  Sterimol/B4: 7.08416  Sterimol/L: 19.0468 
 
 Surface and Volume Properties
  Accessible surface: 679.704  Positive charged surface: 333.31  Negative charged surface: 346.394  Volume: 415.375
  Hydrophobic surface: 474.653  Hydrophilic surface: 205.051
 
 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: 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.