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ENAMINE-ZINC03245152

 MMsINC code: MMs01327169
Type: Neutral
Formula: C24H22F2N2O4S
SMILES:   S(=O)(=O)(N1Cc2c(CC1C(=O)Nc1cc(F)ccc1F)cccc2)c1ccc(OCC)cc1
InChI:   InChI=1/C24H22F2N2O4S/c1-2-32-19-8-10-20(11-9-19)33(30,31)28-15-17-6-4-3-5-16(17)13-23(28)24(29)27-22-14-18(25)7-12-21(22)26/h3-12,14,23H,2,13,15H2,1H3,(H,27,29)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.157 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.512 g/mol  logS: -6.21419  SlogP: 4.38417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141115  Sterimol/B1: 2.53301  Sterimol/B2: 3.79413  Sterimol/B3: 5.80974
  Sterimol/B4: 10.7687  Sterimol/L: 17.5636 
 
 Surface and Volume Properties
  Accessible surface: 702.443  Positive charged surface: 391.164  Negative charged surface: 311.279  Volume: 408.875
  Hydrophobic surface: 607.399  Hydrophilic surface: 95.044
 
 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.