MMsINC Database Search


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MMsINC code: MMs01618525

Type: Neutral
Formula: C₁₉H₂₂N₂O₄

SMILES:

O(C)c1ccc(cc1)CC(=O)N(CC(=O)Nc1ccc(OC)cc1)C

InChI:

InChI=1/C19H22N2O4/c1-21(19(23)12-14-4-8-16(24-2)9-5-14)13-18(22)20-15-6-10-17(25-3)11-7-15/h4-11H,12-13H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.926 kcal/mol

Physical Properties
Molecular Weight: 342.395 g/mol	logS: -3.58368	SlogP: 2.34337	Reactive groups: 0

Topological Properties
Globularity: 0.0464773	Sterimol/B1: 2.36939	Sterimol/B2: 2.39783	Sterimol/B3: 4.57629
Sterimol/B4: 7.70935	Sterimol/L: 20.0916

Surface and Volume Properties
Accessible surface: 635.68	Positive charged surface: 467.702	Negative charged surface: 167.978	Volume: 335.5
Hydrophobic surface: 552.345	Hydrophilic surface: 83.335

Pharmacophoric Properties
Hydrogen bond donors: 1	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.