MMsINC Database Search


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MMsINC code: MMs01448414

Type: Neutral
Formula: C₁₅H₁₇ClN₂O₄S₂

SMILES:

Clc1ccccc1CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1

InChI:

InChI=1/C15H17ClN2O4S2/c1-18(2)24(21,22)14-9-7-13(8-10-14)23(19,20)17-11-12-5-3-4-6-15(12)16/h3-10,17H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.7383 kcal/mol

Physical Properties
Molecular Weight: 388.896 g/mol	logS: -3.63861	SlogP: 2.3352	Reactive groups: 0

Topological Properties
Globularity: 0.0719093	Sterimol/B1: 2.08702	Sterimol/B2: 4.45632	Sterimol/B3: 4.70851
Sterimol/B4: 5.4088	Sterimol/L: 17.5242

Surface and Volume Properties
Accessible surface: 590.021	Positive charged surface: 305.627	Negative charged surface: 284.395	Volume: 321.25
Hydrophobic surface: 458.859	Hydrophilic surface: 131.162

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.