MMsINC Database Search


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MMsINC code: MMs00186191

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

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

InChI:

InChI=1/C24H24N2O4/c1-29-21-11-3-17(4-12-21)15-25-23(27)19-7-9-20(10-8-19)24(28)26-16-18-5-13-22(30-2)14-6-18/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)=92.5939 kcal/mol

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

Topological Properties
Globularity: 0.0437489	Sterimol/B1: 2.5043	Sterimol/B2: 3.16455	Sterimol/B3: 4.84481
Sterimol/B4: 10.7175	Sterimol/L: 18.8496

Surface and Volume Properties
Accessible surface: 745.079	Positive charged surface: 484.813	Negative charged surface: 260.266	Volume: 397.125
Hydrophobic surface: 631.22	Hydrophilic surface: 113.859

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.