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NCID-ZINC01655352

 MMsINC code: MMs02293927
Type: Neutral
Formula: C30H24N2O4S2
SMILES:   S(=O)(=O)(n1c2c(cccc2)c(C)c1-c1n(S(=O)(=O)c2ccccc2)c2c(cccc2
)c1C)c1ccccc1
InChI:   InChI=1/C30H24N2O4S2/c1-21-25-17-9-11-19-27(25)31(37(33,34)23-13-5-3-6-14-23)29(21)30-22(2)26-18-10-12-20-28(26)32(30)38(35,36)24-15-7-4-8-16-24/h3-20H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=169.949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 540.664 g/mol  logS: -8.53152  SlogP: 6.35384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.516417  Sterimol/B1: 3.77703  Sterimol/B2: 4.72535  Sterimol/B3: 6.99626
  Sterimol/B4: 8.3956  Sterimol/L: 15.2299 
 
 Surface and Volume Properties
  Accessible surface: 693.416  Positive charged surface: 341.625  Negative charged surface: 344.684  Volume: 484.125
  Hydrophobic surface: 640.748  Hydrophilic surface: 52.668
 
 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.