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CHEMDIV-ZINC00624247

 MMsINC code: MMs00855828
Type: Neutral
Formula: C28H25FN2O3S
SMILES:   S(=O)(=O)(N(CC(O)Cn1c2c(c3c1cccc3)cccc2)c1ccc(F)cc1)c1ccc(cc
1)C
InChI:   InChI=1/C28H25FN2O3S/c1-20-10-16-24(17-11-20)35(33,34)31(22-14-12-21(29)13-15-22)19-23(32)18-30-27-8-4-2-6-25(27)26-7-3-5-9-28(26)30/h2-17,23,32H,18-19H2,1H3/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.583 g/mol  logS: -7.51359  SlogP: 5.76482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0702754  Sterimol/B1: 2.50804  Sterimol/B2: 4.46678  Sterimol/B3: 5.71638
  Sterimol/B4: 9.13056  Sterimol/L: 18.4041 
 
 Surface and Volume Properties
  Accessible surface: 734.699  Positive charged surface: 362.169  Negative charged surface: 361.528  Volume: 452.125
  Hydrophobic surface: 676.102  Hydrophilic surface: 58.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.