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PUBCHEM-ZINC03676051

 MMsINC code: MMs03038514
Type: Neutral
Formula: C19H17ClN2O3S
SMILES:   Clc1cc(ccc1)-c1[nH]c2c(cc(S(=O)(=O)N3CCCC3)cc2)c1C=O
InChI:   InChI=1/C19H17ClN2O3S/c20-14-5-3-4-13(10-14)19-17(12-23)16-11-15(6-7-18(16)21-19)26(24,25)22-8-1-2-9-22/h3-7,10-12,21H,1-2,8-9H2

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Potential Energy
Epot(MMFF94)=56.1733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.875 g/mol  logS: -5.2763  SlogP: 4.0853  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0661874  Sterimol/B1: 3.69912  Sterimol/B2: 4.14395  Sterimol/B3: 4.79274
  Sterimol/B4: 5.96439  Sterimol/L: 17.4059 
 
 Surface and Volume Properties
  Accessible surface: 611.856  Positive charged surface: 326.227  Negative charged surface: 279.731  Volume: 338.875
  Hydrophobic surface: 485.6  Hydrophilic surface: 126.256
 
 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.