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NCID-ZINC01620122

 MMsINC code: MMs02268393
Type: Neutral
Formula: C26H23NO6S2
SMILES:   S(=O)(=O)(C1C2CC(=O)C(N(Cc3ccccc3)C2=O)C1S(=O)(=O)c1ccccc1)c
1ccccc1
InChI:   InChI=1/C26H23NO6S2/c28-22-16-21-24(34(30,31)19-12-6-2-7-13-19)25(35(32,33)20-14-8-3-9-15-20)23(22)27(26(21)29)17-18-10-4-1-5-11-18/h1-15,21,23-25H,16-17H2/t21-,23+,24+,25+/m1/s1

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Potential Energy
Epot(MMFF94)=128.239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 509.603 g/mol  logS: -5.56251  SlogP: 2.9378  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.26954  Sterimol/B1: 3.20539  Sterimol/B2: 5.28461  Sterimol/B3: 7.18744
  Sterimol/B4: 7.4138  Sterimol/L: 14.984 
 
 Surface and Volume Properties
  Accessible surface: 647.064  Positive charged surface: 343.975  Negative charged surface: 303.089  Volume: 436.125
  Hydrophobic surface: 528.058  Hydrophilic surface: 119.006
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.