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ENAMINE-ZINC03454598

 MMsINC code: MMs01453186
Type: Neutral
Formula: C27H30N2O6S
SMILES:   S(=O)(=O)(N(C)c1ccc(OC)cc1)c1cc(ccc1)C(OCC(=O)N(Cc1ccccc1)C(
C)C)=O
InChI:   InChI=1/C27H30N2O6S/c1-20(2)29(18-21-9-6-5-7-10-21)26(30)19-35-27(31)22-11-8-12-25(17-22)36(32,33)28(3)23-13-15-24(34-4)16-14-23/h5-17,20H,18-19H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 510.611 g/mol  logS: -6.04331  SlogP: 4.3807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0508333  Sterimol/B1: 2.67269  Sterimol/B2: 4.47987  Sterimol/B3: 6.11337
  Sterimol/B4: 7.24567  Sterimol/L: 21.5683 
 
 Surface and Volume Properties
  Accessible surface: 814.56  Positive charged surface: 509.486  Negative charged surface: 305.075  Volume: 480.125
  Hydrophobic surface: 653.301  Hydrophilic surface: 161.259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.