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MMsINC code: MMs02924754

Type: Neutral
Formula: C₁₇H₁₉Cl₂NO₄S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)NCc1cc(OCC)c(OCC)cc1

InChI:

InChI=1/C17H19Cl2NO4S/c1-3-23-15-8-5-12(9-16(15)24-4-2)11-20-25(21,22)17-10-13(18)6-7-14(17)19/h5-10,20H,3-4,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0131 kcal/mol

Physical Properties
Molecular Weight: 404.314 g/mol	logS: -5.21452	SlogP: 4.5357	Reactive groups: 0

Topological Properties
Globularity: 0.0600417	Sterimol/B1: 2.55557	Sterimol/B2: 4.14678	Sterimol/B3: 4.35969
Sterimol/B4: 9.10992	Sterimol/L: 17.6932

Surface and Volume Properties
Accessible surface: 644.948	Positive charged surface: 332.931	Negative charged surface: 312.018	Volume: 341.625
Hydrophobic surface: 506.239	Hydrophilic surface: 138.709

Pharmacophoric Properties
Hydrogen bond donors: 1	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.