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MMsINC code: MMs00856992

Type: Neutral
Formula: C₁₅H₁₈N₂O₄S₂

SMILES:

S(=O)(=O)(NCCc1ccc(S(=O)(=O)N)cc1)c1ccc(cc1)C

InChI:

InChI=1/C15H18N2O4S2/c1-12-2-6-15(7-3-12)23(20,21)17-11-10-13-4-8-14(9-5-13)22(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)=11.0449 kcal/mol

Physical Properties
Molecular Weight: 354.451 g/mol	logS: -3.75276	SlogP: 1.16339	Reactive groups: 0

Topological Properties
Globularity: 0.0691133	Sterimol/B1: 2.27727	Sterimol/B2: 3.4474	Sterimol/B3: 3.92062
Sterimol/B4: 8.13653	Sterimol/L: 16.7811

Surface and Volume Properties
Accessible surface: 590.28	Positive charged surface: 305.616	Negative charged surface: 284.664	Volume: 305.625
Hydrophobic surface: 377.124	Hydrophilic surface: 213.156

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

MMs00856993
CHEMDIV-ZINC00680538