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CHEMDIV-ZINC06811056

 MMsINC code: MMs01038740
Type: Neutral
Formula: C22H26FNO4S
SMILES:   S1(=O)(=O)CC(N(Cc2ccccc2F)C(=O)COc2c(cc(cc2C)C)C)CC1
InChI:   InChI=1/C22H26FNO4S/c1-15-10-16(2)22(17(3)11-15)28-13-21(25)24(19-8-9-29(26,27)14-19)12-18-6-4-5-7-20(18)23/h4-7,10-11,19H,8-9,12-14H2,1-3H3/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=141.173 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.517 g/mol  logS: -4.82136  SlogP: 3.61206  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190198  Sterimol/B1: 4.26306  Sterimol/B2: 4.59659  Sterimol/B3: 5.81286
  Sterimol/B4: 6.56872  Sterimol/L: 16.4281 
 
 Surface and Volume Properties
  Accessible surface: 639.077  Positive charged surface: 367.737  Negative charged surface: 271.341  Volume: 386.125
  Hydrophobic surface: 549.325  Hydrophilic surface: 89.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.