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MMsINC code: MMs01895928

Type: Neutral
Formula: C₂₃H₁₆N₂O₄

SMILES:

Oc1ccccc1\C=C\C1=Nc2c(cccc2)C(=O)N1c1ccc(cc1)C(O)=O

InChI:

InChI=1/C23H16N2O4/c26-20-8-4-1-5-15(20)11-14-21-24-19-7-3-2-6-18(19)22(27)25(21)17-12-9-16(10-13-17)23(28)29/h1-14,26H,(H,28,29)/b14-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.755 kcal/mol

Physical Properties
Molecular Weight: 384.391 g/mol	logS: -5.79049	SlogP: 4.4942	Reactive groups: 0

Topological Properties
Globularity: 0.0551312	Sterimol/B1: 3.61911	Sterimol/B2: 3.67303	Sterimol/B3: 4.83467
Sterimol/B4: 9.11201	Sterimol/L: 15.7368

Surface and Volume Properties
Accessible surface: 641.247	Positive charged surface: 346.466	Negative charged surface: 294.781	Volume: 356.625
Hydrophobic surface: 457.997	Hydrophilic surface: 183.25

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs01895929
IBS-ZINC04812341