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NCID-ZINC05808240

 MMsINC code: MMs02498286
Type: Neutral
Formula: C30H28N2O6S2
SMILES:   S(=O)(=O)(NC(=O)C(Cc1ccccc1)C(Cc1ccccc1)C(=O)NS(=O)(=O)c1ccc
cc1)c1ccccc1
InChI:   InChI=1/C30H28N2O6S2/c33-29(31-39(35,36)25-17-9-3-10-18-25)27(21-23-13-5-1-6-14-23)28(22-24-15-7-2-8-16-24)30(34)32-40(37,38)26-19-11-4-12-20-26/h1-20,27-28H,21-22H2,(H,31,33)(H,32,34)/t27-,28+

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Potential Energy
Epot(MMFF94)=47.8895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 576.694 g/mol  logS: -7.20128  SlogP: 3.71434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.585757  Sterimol/B1: 3.0899  Sterimol/B2: 7.03396  Sterimol/B3: 7.47398
  Sterimol/B4: 10.0677  Sterimol/L: 13.4272 
 
 Surface and Volume Properties
  Accessible surface: 792.255  Positive charged surface: 398.388  Negative charged surface: 393.867  Volume: 514.125
  Hydrophobic surface: 655.9  Hydrophilic surface: 136.355
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.