MMsINC Database Search


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MMsINC code: MMs00182936

Type: Neutral
Formula: C₂₄H₂₀N₂O₄S₂

SMILES:

S(=O)(=O)(Nc1ccccc1)c1ccc(cc1)-c1ccc(S(=O)(=O)Nc2ccccc2)cc1

InChI:

InChI=1/C24H20N2O4S2/c27-31(28,25-21-7-3-1-4-8-21)23-15-11-19(12-16-23)20-13-17-24(18-14-20)32(29,30)26-22-9-5-2-6-10-22/h1-18,25-26H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.9073 kcal/mol

Physical Properties
Molecular Weight: 464.566 g/mol	logS: -7.13494	SlogP: 4.9552	Reactive groups: 0

Topological Properties
Globularity: 0.130707	Sterimol/B1: 2.40309	Sterimol/B2: 3.09059	Sterimol/B3: 6.53407
Sterimol/B4: 6.7113	Sterimol/L: 16.2026

Surface and Volume Properties
Accessible surface: 699.096	Positive charged surface: 329.34	Negative charged surface: 358.926	Volume: 409.875
Hydrophobic surface: 537.021	Hydrophilic surface: 162.075

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: 0

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Ions/Tautomers related molecules: no related molecules available.