MMsINC Database Search


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MMsINC code: MMs00348497

Type: Neutral
Formula: C₁₇H₁₆N₂O₄S₃

SMILES:

s1cccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1

InChI:

InChI=1/C17H16N2O4S3/c1-13-5-2-3-6-16(13)19-25(20,21)15-10-8-14(9-11-15)18-26(22,23)17-7-4-12-24-17/h2-12,18-19H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.752 kcal/mol

Physical Properties
Molecular Weight: 408.523 g/mol	logS: -4.83404	SlogP: 3.65812	Reactive groups: 0

Topological Properties
Globularity: 0.152146	Sterimol/B1: 2.4819	Sterimol/B2: 4.39146	Sterimol/B3: 5.49969
Sterimol/B4: 5.9606	Sterimol/L: 15.5836

Surface and Volume Properties
Accessible surface: 600.16	Positive charged surface: 272.135	Negative charged surface: 328.025	Volume: 337
Hydrophobic surface: 441.963	Hydrophilic surface: 158.197

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: no related molecules available.