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MMsINC code: MMs02258317

Type: Neutral
Formula: C₇H₆ClN₃O₅S₂

SMILES:

Clc1cc2NC(=O)NS(=O)(=O)c2cc1S(=O)(=O)N

InChI:

InChI=1/C7H6ClN3O5S2/c8-3-1-4-6(2-5(3)17(9,13)14)18(15,16)11-7(12)10-4/h1-2H,(H2,9,13,14)(H2,10,11,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-47.7474 kcal/mol

Physical Properties
Molecular Weight: 311.726 g/mol	logS: -2.79054	SlogP: -0.1888	Reactive groups: 0

Topological Properties
Globularity: 0.0564576	Sterimol/B1: 2.71443	Sterimol/B2: 3.20125	Sterimol/B3: 3.21447
Sterimol/B4: 5.85055	Sterimol/L: 12.5432

Surface and Volume Properties
Accessible surface: 424.518	Positive charged surface: 158.307	Negative charged surface: 266.211	Volume: 205.25
Hydrophobic surface: 124.169	Hydrophilic surface: 300.349

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

search links for this molecule:

Ions/Tautomers related molecules

MMs02258318
NCID-ZINC01606358