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MMsINC code: MMs01315630

Type: Neutral
Formula: C₁₃H₁₀Cl₃N₃O₄S₂

SMILES:

Clc1c(cccc1Cl)C1Nc2cc(Cl)c(S(=O)(=O)N)cc2S(=O)(=O)N1

InChI:

InChI=1/C13H10Cl3N3O4S2/c14-7-3-1-2-6(12(7)16)13-18-9-4-8(15)10(24(17,20)21)5-11(9)25(22,23)19-13/h1-5,13,18-19H,(H2,17,20,21)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=7.87987 kcal/mol

Physical Properties
Molecular Weight: 442.731 g/mol	logS: -5.24627	SlogP: 2.7923	Reactive groups: 0

Topological Properties
Globularity: 0.230521	Sterimol/B1: 2.49444	Sterimol/B2: 3.77061	Sterimol/B3: 5.13716
Sterimol/B4: 7.26445	Sterimol/L: 14.055

Surface and Volume Properties
Accessible surface: 544.741	Positive charged surface: 201.565	Negative charged surface: 343.177	Volume: 310.25
Hydrophobic surface: 330.409	Hydrophilic surface: 214.332

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01315631
ENAMINE-ZINC03225192