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MMsINC code: MMs02032253

Type: Neutral
Formula: C₁₅H₁₅Cl₂NO₂S

SMILES:

Clc1cc(Cl)c(S(=O)(=O)NCCc2ccccc2)cc1C

InChI:

InChI=1/C15H15Cl2NO2S/c1-11-9-15(14(17)10-13(11)16)21(19,20)18-8-7-12-5-3-2-4-6-12/h2-6,9-10,18H,7-8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.3357 kcal/mol

Physical Properties
Molecular Weight: 344.262 g/mol	logS: -4.68128	SlogP: 3.82279	Reactive groups: 0

Topological Properties
Globularity: 0.0741574	Sterimol/B1: 2.86008	Sterimol/B2: 4.41686	Sterimol/B3: 4.6637
Sterimol/B4: 5.56319	Sterimol/L: 15.3866

Surface and Volume Properties
Accessible surface: 544.38	Positive charged surface: 243.907	Negative charged surface: 300.474	Volume: 292.625
Hydrophobic surface: 459.992	Hydrophilic surface: 84.388

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.