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PUBCHEM-ZINC03355110

 MMsINC code: MMs03012270
Type: Neutral
Formula: C30H29FN2O5S
SMILES:   S(=O)(=O)(N(CC)c1ccccc1)c1cc(ccc1C)C(OCC(=O)c1cc(n(c1C)-c1cc
ccc1F)C)=O
InChI:   InChI=1/C30H29FN2O5S/c1-5-32(24-11-7-6-8-12-24)39(36,37)29-18-23(16-15-20(29)2)30(35)38-19-28(34)25-17-21(3)33(22(25)4)27-14-10-9-13-26(27)31/h6-18H,5,19H2,1-4H3

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Potential Energy
Epot(MMFF94)=156.695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 548.635 g/mol  logS: -7.17381  SlogP: 5.79656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0518528  Sterimol/B1: 2.56533  Sterimol/B2: 5.67405  Sterimol/B3: 6.96651
  Sterimol/B4: 7.44183  Sterimol/L: 21.4662 
 
 Surface and Volume Properties
  Accessible surface: 837.203  Positive charged surface: 465.482  Negative charged surface: 371.721  Volume: 505.125
  Hydrophobic surface: 711.366  Hydrophilic surface: 125.837
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.