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MMsINC code: MMs00717568

Type: Neutral
Formula: C₁₈H₁₉Cl₂NO₃S

SMILES:

Clc1cccc(Cl)c1CSCCNC(=O)COc1ccccc1OC

InChI:

InChI=1/C18H19Cl2NO3S/c1-23-16-7-2-3-8-17(16)24-11-18(22)21-9-10-25-12-13-14(19)5-4-6-15(13)20/h2-8H,9-12H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.306 kcal/mol

Physical Properties
Molecular Weight: 400.326 g/mol	logS: -5.88657	SlogP: 4.6968	Reactive groups: 0

Topological Properties
Globularity: 0.0242477	Sterimol/B1: 2.54724	Sterimol/B2: 4.74576	Sterimol/B3: 4.74598
Sterimol/B4: 7.43757	Sterimol/L: 21.3923

Surface and Volume Properties
Accessible surface: 681.838	Positive charged surface: 386.952	Negative charged surface: 294.886	Volume: 357
Hydrophobic surface: 586.244	Hydrophilic surface: 95.594

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.