MMsINC Database Search


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MMsINC code: MMs01522675

Type: Neutral
Formula: C₂₂H₂₀N₂O₄

SMILES:

O(C)c1ccccc1NC(=O)c1ccc(NC(=O)COc2ccccc2)cc1

InChI:

InChI=1/C22H20N2O4/c1-27-20-10-6-5-9-19(20)24-22(26)16-11-13-17(14-12-16)23-21(25)15-28-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,25)(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.613 kcal/mol

Physical Properties
Molecular Weight: 376.412 g/mol	logS: -5.45206	SlogP: 3.965	Reactive groups: 0

Topological Properties
Globularity: 0.00628927	Sterimol/B1: 2.524	Sterimol/B2: 2.54129	Sterimol/B3: 2.93102
Sterimol/B4: 7.46838	Sterimol/L: 22.6565

Surface and Volume Properties
Accessible surface: 676.317	Positive charged surface: 416.481	Negative charged surface: 259.836	Volume: 359.625
Hydrophobic surface: 582.412	Hydrophilic surface: 93.905

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.