MMsINC Database Search


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MMsINC code: MMs01378232

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(CC(=O)Nc1cc(ccc1OC)C)c1ccccc1C(=O)NCc1ccccc1

InChI:

InChI=1/C24H24N2O4/c1-17-12-13-22(29-2)20(14-17)26-23(27)16-30-21-11-7-6-10-19(21)24(28)25-15-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3,(H,25,28)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.65 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.87002	SlogP: 4.21752	Reactive groups: 0

Topological Properties
Globularity: 0.0321154	Sterimol/B1: 2.0346	Sterimol/B2: 2.31648	Sterimol/B3: 4.9376
Sterimol/B4: 10.9343	Sterimol/L: 20.8601

Surface and Volume Properties
Accessible surface: 733.502	Positive charged surface: 479.151	Negative charged surface: 254.351	Volume: 394.625
Hydrophobic surface: 649.153	Hydrophilic surface: 84.349

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.