MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02880292

Type: Neutral
Formula: C₈H₁₁ClN₂O₄S₂

SMILES:

Clc1cc(S(=O)(=O)CS(=O)(=O)C)ccc1NN

InChI:

InChI=1/C8H11ClN2O4S2/c1-16(12,13)5-17(14,15)6-2-3-8(11-10)7(9)4-6/h2-4,11H,5,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.2834 kcal/mol

Physical Properties
Molecular Weight: 298.771 g/mol	logS: -1.77734	SlogP: 0.4014	Reactive groups: 0

Topological Properties
Globularity: 0.0872031	Sterimol/B1: 3.54023	Sterimol/B2: 3.78168	Sterimol/B3: 4.33986
Sterimol/B4: 5.61058	Sterimol/L: 13.1529

Surface and Volume Properties
Accessible surface: 438.639	Positive charged surface: 201.853	Negative charged surface: 236.786	Volume: 221.375
Hydrophobic surface: 244.864	Hydrophilic surface: 193.775

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.