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MAYBRIDGE-ZINC00143544

 MMsINC code: MMs02140087
Type: Neutral
Formula: C15H11ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)Nc2ccc(cc2)-c2ocnc2)cc1
InChI:   InChI=1/C15H11ClN2O3S/c16-12-3-7-14(8-4-12)22(19,20)18-13-5-1-11(2-6-13)15-9-17-10-21-15/h1-10,18H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.0841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.783 g/mol  logS: -4.99072  SlogP: 3.7958  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151813  Sterimol/B1: 2.51616  Sterimol/B2: 3.88028  Sterimol/B3: 5.17522
  Sterimol/B4: 6.75668  Sterimol/L: 14.0512 
 
 Surface and Volume Properties
  Accessible surface: 524.324  Positive charged surface: 267.507  Negative charged surface: 256.817  Volume: 280.5
  Hydrophobic surface: 374.768  Hydrophilic surface: 149.556
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.