MMsINC Database Search


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MMsINC code: MMs02997200

Type: Neutral
Formula: C₂₂H₁₆ClNO₅S₂

SMILES:

Clc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccccc3)c(O)c3c2cccc3)cc1

InChI:

InChI=1/C22H16ClNO5S2/c23-15-10-12-17(13-11-15)31(28,29)24-20-14-21(22(25)19-9-5-4-8-18(19)20)30(26,27)16-6-2-1-3-7-16/h1-14,24-25H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.7468 kcal/mol

Physical Properties
Molecular Weight: 473.957 g/mol	logS: -7.26149	SlogP: 4.8324	Reactive groups: 0

Topological Properties
Globularity: 0.17336	Sterimol/B1: 3.93353	Sterimol/B2: 4.36374	Sterimol/B3: 5.99247
Sterimol/B4: 7.4294	Sterimol/L: 16.582

Surface and Volume Properties
Accessible surface: 652.848	Positive charged surface: 261.209	Negative charged surface: 383.143	Volume: 388.875
Hydrophobic surface: 510.523	Hydrophilic surface: 142.325

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.