MMsINC Database Search


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MMsINC code: MMs02869072

Type: Neutral
Formula: C₂₄H₂₀O₆S₂

SMILES:

S(Oc1cc2cc(OS(=O)(=O)c3ccccc3C)ccc2cc1)(=O)(=O)c1ccccc1C

InChI:

InChI=1/C24H20O6S2/c1-17-7-3-5-9-23(17)31(25,26)29-21-13-11-19-12-14-22(16-20(19)15-21)30-32(27,28)24-10-6-4-8-18(24)2/h3-16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.538 kcal/mol

Physical Properties
Molecular Weight: 468.55 g/mol	logS: -7.77836	SlogP: 4.99204	Reactive groups: 0

Topological Properties
Globularity: 0.10753	Sterimol/B1: 2.11944	Sterimol/B2: 3.07228	Sterimol/B3: 6.70355
Sterimol/B4: 7.54357	Sterimol/L: 17.5323

Surface and Volume Properties
Accessible surface: 672.932	Positive charged surface: 323.857	Negative charged surface: 340.721	Volume: 402.25
Hydrophobic surface: 554.528	Hydrophilic surface: 118.404

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.