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MMsINC code: MMs00671253

Type: Neutral
Formula: C₂₃H₂₀N₂O₄

SMILES:

OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2cc(ccc2)C)c1C

InChI:

InChI=1/C23H20N2O4/c1-14-7-5-8-16(13-14)21(26)25-20-11-4-3-9-18(20)22(27)24-19-12-6-10-17(15(19)2)23(28)29/h3-13H,1-2H3,(H,24,27)(H,25,26)(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.608 kcal/mol

Physical Properties
Molecular Weight: 388.423 g/mol	logS: -5.92865	SlogP: 4.50624	Reactive groups: 0

Topological Properties
Globularity: 0.0184389	Sterimol/B1: 2.50148	Sterimol/B2: 3.55579	Sterimol/B3: 3.62515
Sterimol/B4: 8.59903	Sterimol/L: 18.7759

Surface and Volume Properties
Accessible surface: 647.657	Positive charged surface: 368.953	Negative charged surface: 278.704	Volume: 363.75
Hydrophobic surface: 516.482	Hydrophilic surface: 131.175

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00671254
CHEMBRIDGE-ZINC01145518