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MMsINC code: MMs03517446

Type: Neutral
Formula: C₂₄H₁₆N₂O₄

SMILES:

OC(=O)c1ccc(cc1)-c1cc(ncc1)-c1nccc(c1)-c1ccc(cc1)C(O)=O

InChI:

InChI=1/C24H16N2O4/c27-23(28)17-5-1-15(2-6-17)19-9-11-25-21(13-19)22-14-20(10-12-26-22)16-3-7-18(8-4-16)24(29)30/h1-14H,(H,27,28)(H,29,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.049 kcal/mol

Physical Properties
Molecular Weight: 396.402 g/mol	logS: -6.02414	SlogP: 4.874	Reactive groups: 0

Topological Properties
Globularity: 2.1307e-07	Sterimol/B1: 2.10097	Sterimol/B2: 2.1036	Sterimol/B3: 3.68265
Sterimol/B4: 6.80376	Sterimol/L: 22.0452

Surface and Volume Properties
Accessible surface: 655.316	Positive charged surface: 351.055	Negative charged surface: 282.119	Volume: 369
Hydrophobic surface: 441.691	Hydrophilic surface: 213.625

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	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

MMs03517447
PUBCHEM-ZINC06058883