MMsINC Database Search


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MMsINC code: MMs01471890

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(CC(OCC(=O)N(Cc1ccccc1)C)=O)c1ccc(Nc2ccccc2)cc1

InChI:

InChI=1/C24H24N2O4/c1-26(16-19-8-4-2-5-9-19)23(27)17-30-24(28)18-29-22-14-12-21(13-15-22)25-20-10-6-3-7-11-20/h2-15,25H,16-18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.919 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.29823	SlogP: 4.2772	Reactive groups: 1

Topological Properties
Globularity: 0.0392751	Sterimol/B1: 3.13211	Sterimol/B2: 3.25997	Sterimol/B3: 5.20529
Sterimol/B4: 7.13278	Sterimol/L: 22.3995

Surface and Volume Properties
Accessible surface: 729.83	Positive charged surface: 458.575	Negative charged surface: 271.255	Volume: 400.125
Hydrophobic surface: 624.371	Hydrophilic surface: 105.459

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.