MMsINC Database Search


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MMsINC code: MMs02966305

Type: Neutral
Formula: C₂₆H₁₈ClNO₄S

SMILES:

Clc1ccc(S(=O)(=O)Nc2cc(-c3c4c(ccc3O)cccc4)c(O)c3c2cccc3)cc1

InChI:

InChI=1/C26H18ClNO4S/c27-17-10-12-18(13-11-17)33(31,32)28-23-15-22(26(30)21-8-4-3-7-20(21)23)25-19-6-2-1-5-16(19)9-14-24(25)29/h1-15,28-30H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.531 kcal/mol

Physical Properties
Molecular Weight: 475.952 g/mol	logS: -9.23925	SlogP: 6.5254	Reactive groups: 0

Topological Properties
Globularity: 0.21723	Sterimol/B1: 3.95229	Sterimol/B2: 5.82491	Sterimol/B3: 6.09372
Sterimol/B4: 6.16565	Sterimol/L: 15.6399

Surface and Volume Properties
Accessible surface: 670.262	Positive charged surface: 302.438	Negative charged surface: 351.521	Volume: 412.375
Hydrophobic surface: 540.311	Hydrophilic surface: 129.951

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.