MMsINC Database Search


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MMsINC code: MMs00638537

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(C)c1ccccc1CNC(=O)c1cc(ccc1)C(=O)NCc1ccccc1OC

InChI:

InChI=1/C24H24N2O4/c1-29-21-12-5-3-8-19(21)15-25-23(27)17-10-7-11-18(14-17)24(28)26-16-20-9-4-6-13-22(20)30-2/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)=88.6635 kcal/mol

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

Topological Properties
Globularity: 0.0510746	Sterimol/B1: 2.40158	Sterimol/B2: 3.45064	Sterimol/B3: 4.89455
Sterimol/B4: 7.95191	Sterimol/L: 20.8189

Surface and Volume Properties
Accessible surface: 732.737	Positive charged surface: 479.72	Negative charged surface: 253.017	Volume: 396.75
Hydrophobic surface: 638.717	Hydrophilic surface: 94.02

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.