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MMsINC code: MMs01341369

Type: Neutral
Formula: C₂₄H₂₀N₂O₅

SMILES:

o1cccc1-c1nc2c(cccc2)c(c1)C(OCC(=O)Nc1ccccc1OCC)=O

InChI:

InChI=1/C24H20N2O5/c1-2-29-21-11-6-5-10-19(21)26-23(27)15-31-24(28)17-14-20(22-12-7-13-30-22)25-18-9-4-3-8-16(17)18/h3-14H,2,15H2,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.075 kcal/mol

Physical Properties
Molecular Weight: 416.433 g/mol	logS: -6.6918	SlogP: 4.689	Reactive groups: 0

Topological Properties
Globularity: 0.020948	Sterimol/B1: 2.34863	Sterimol/B2: 4.1079	Sterimol/B3: 4.5662
Sterimol/B4: 9.31458	Sterimol/L: 18.8885

Surface and Volume Properties
Accessible surface: 727.864	Positive charged surface: 426.08	Negative charged surface: 295.552	Volume: 388.625
Hydrophobic surface: 600.864	Hydrophilic surface: 127

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.