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MAYBRIDGE-ZINC01027867

 MMsINC code: MMs02148903
Type: Neutral
Formula: C18H13ClFNO3S2
SMILES:   Clc1ccc(S(=O)(=O)Nc2cc(sc2C(=O)C)-c2ccc(F)cc2)cc1
InChI:   InChI=1/C18H13ClFNO3S2/c1-11(22)18-16(10-17(25-18)12-2-6-14(20)7-3-12)21-26(23,24)15-8-4-13(19)5-9-15/h2-10,21H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.5571 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.889 g/mol  logS: -6.59011  SlogP: 5.211  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193842  Sterimol/B1: 2.10036  Sterimol/B2: 4.48937  Sterimol/B3: 5.65282
  Sterimol/B4: 9.60555  Sterimol/L: 14.7678 
 
 Surface and Volume Properties
  Accessible surface: 593.086  Positive charged surface: 232.362  Negative charged surface: 360.724  Volume: 334.25
  Hydrophobic surface: 493.016  Hydrophilic surface: 100.07
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.