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MMsINC code: MMs01443973

Type: Neutral
Formula: C₁₅H₁₈N₂O₅S₂

SMILES:

S(=O)(=O)(NCCc1ccc(S(=O)(=O)N)cc1)c1ccccc1OC

InChI:

InChI=1/C15H18N2O5S2/c1-22-14-4-2-3-5-15(14)24(20,21)17-11-10-12-6-8-13(9-7-12)23(16,18)19/h2-9,17H,10-11H2,1H3,(H2,16,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.1072 kcal/mol

Physical Properties
Molecular Weight: 370.45 g/mol	logS: -3.32922	SlogP: 0.86357	Reactive groups: 0

Topological Properties
Globularity: 0.079052	Sterimol/B1: 2.62956	Sterimol/B2: 2.63877	Sterimol/B3: 4.99929
Sterimol/B4: 6.60742	Sterimol/L: 16.8556

Surface and Volume Properties
Accessible surface: 577.047	Positive charged surface: 315.705	Negative charged surface: 261.342	Volume: 311.625
Hydrophobic surface: 358.211	Hydrophilic surface: 218.836

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01443974
ENAMINE-ZINC03440813