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MMsINC code: MMs01989523

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

OC(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccccc1C

InChI:

InChI=1/C20H20N2O4/c1-14-4-2-3-5-17(14)19(24)22-12-10-21(11-13-22)18(23)15-6-8-16(9-7-15)20(25)26/h2-9H,10-13H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.284 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -3.85166	SlogP: 2.29142	Reactive groups: 0

Topological Properties
Globularity: 0.0894706	Sterimol/B1: 2.31231	Sterimol/B2: 5.22862	Sterimol/B3: 5.47502
Sterimol/B4: 5.6566	Sterimol/L: 15.8926

Surface and Volume Properties
Accessible surface: 593.005	Positive charged surface: 360.529	Negative charged surface: 232.476	Volume: 329.375
Hydrophobic surface: 439.256	Hydrophilic surface: 153.749

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

MMs01989524
IFLAB-ZINC02456249