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MMsINC code: MMs02187617

Type: Neutral
Formula: C₁₄H₁₄N₂O₄S₂

SMILES:

S(=O)(=O)(N)c1ccccc1\C=C/c1ccccc1S(=O)(=O)N

InChI:

InChI=1/C14H14N2O4S2/c15-21(17,18)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)22(16,19)20/h1-10H,(H2,15,17,18)(H2,16,19,20)/b10-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.0581 kcal/mol

Physical Properties
Molecular Weight: 338.408 g/mol	logS: -4.08538	SlogP: 1.1518	Reactive groups: 0

Topological Properties
Globularity: 0.127901	Sterimol/B1: 2.37742	Sterimol/B2: 2.60278	Sterimol/B3: 5.08875
Sterimol/B4: 6.70159	Sterimol/L: 13.1932

Surface and Volume Properties
Accessible surface: 495.237	Positive charged surface: 246.97	Negative charged surface: 248.267	Volume: 275.125
Hydrophobic surface: 261.686	Hydrophilic surface: 233.551

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

MMs02187618
MDPI-ZINC04701570