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MAYBRIDGE-ZINC01031710

 MMsINC code: MMs02149647
Type: Neutral
Formula: C19H14ClN3O3S
SMILES:   Clc1ccc(S(=O)(=O)n2nccc2-c2c(noc2C)-c2ccccc2)cc1
InChI:   InChI=1/C19H14ClN3O3S/c1-13-18(19(22-26-13)14-5-3-2-4-6-14)17-11-12-21-23(17)27(24,25)16-9-7-15(20)8-10-16/h2-12H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.858 g/mol  logS: -6.24627  SlogP: 4.40392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.365487  Sterimol/B1: 2.55874  Sterimol/B2: 5.03054  Sterimol/B3: 5.40248
  Sterimol/B4: 6.71106  Sterimol/L: 14.0023 
 
 Surface and Volume Properties
  Accessible surface: 559.879  Positive charged surface: 261.086  Negative charged surface: 298.793  Volume: 340.125
  Hydrophobic surface: 476.672  Hydrophilic surface: 83.207
 
 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: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.