MMsINC Database Search


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MMsINC code: MMs00692253

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(C)c1ccc(cc1)CNC(=O)c1cc(ccc1)C(=O)NCc1ccc(OC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.0447 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.3137	SlogP: 4.0966	Reactive groups: 0

Topological Properties
Globularity: 0.0289028	Sterimol/B1: 2.19336	Sterimol/B2: 3.32082	Sterimol/B3: 4.80061
Sterimol/B4: 7.0104	Sterimol/L: 24.0652

Surface and Volume Properties
Accessible surface: 737.349	Positive charged surface: 483.654	Negative charged surface: 253.695	Volume: 396.75
Hydrophobic surface: 622.042	Hydrophilic surface: 115.307

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.