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CHEMDIV-ZINC01795990

 MMsINC code: MMs00868453
Type: Neutral
Formula: C18H20ClNO5S
SMILES:   Clc1ccccc1Oc1ccc(S(=O)(=O)NCCCCCC(O)=O)cc1
InChI:   InChI=1/C18H20ClNO5S/c19-16-6-3-4-7-17(16)25-14-9-11-15(12-10-14)26(23,24)20-13-5-1-2-8-18(21)22/h3-4,6-7,9-12,20H,1-2,5,8,13H2,(H,21,22)

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Potential Energy
Epot(MMFF94)=34.8944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.879 g/mol  logS: -4.22293  SlogP: 4.0556  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0342196  Sterimol/B1: 2.75605  Sterimol/B2: 4.62792  Sterimol/B3: 5.57659
  Sterimol/B4: 5.78845  Sterimol/L: 21.167 
 
 Surface and Volume Properties
  Accessible surface: 669.495  Positive charged surface: 362.408  Negative charged surface: 307.088  Volume: 345.125
  Hydrophobic surface: 485.409  Hydrophilic surface: 184.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00868454
CHEMDIV-ZINC01795990