MMsINC Database Search


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MMsINC code: MMs02323826

Type: Neutral
Formula: C₁₀H₉NO₆S₂

SMILES:

S(O)(=O)(=O)c1c2c(cccc2)c(NS(O)(=O)=O)cc1

InChI:

InChI=1/C10H9NO6S2/c12-18(13,14)10-6-5-9(11-19(15,16)17)7-3-1-2-4-8(7)10/h1-6,11H,(H,12,13,14)(H,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.3611 kcal/mol

Physical Properties
Molecular Weight: 303.315 g/mol	logS: -3.06019	SlogP: 0.1698	Reactive groups: 0

Topological Properties
Globularity: 0.038535	Sterimol/B1: 2.33692	Sterimol/B2: 2.55333	Sterimol/B3: 3.51826
Sterimol/B4: 7.8856	Sterimol/L: 12.4416

Surface and Volume Properties
Accessible surface: 444.184	Positive charged surface: 177.34	Negative charged surface: 256.574	Volume: 221
Hydrophobic surface: 194.915	Hydrophilic surface: 249.269

Pharmacophoric Properties
Hydrogen bond donors: 7	Hydrogen bond acceptors: 6	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

MMs02323827
NCID-ZINC01692002