MMsINC Database Search


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MMsINC code: MMs00584662

Type: Neutral
Formula: C₁₆H₁₂N₂O₄

SMILES:

O=C1N(COC(=O)Nc2ccccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C16H12N2O4/c19-14-12-8-4-5-9-13(12)15(20)18(14)10-22-16(21)17-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.0534 kcal/mol

Physical Properties
Molecular Weight: 296.282 g/mol	logS: -3.71348	SlogP: 2.4888	Reactive groups: 0

Topological Properties
Globularity: 0.0816734	Sterimol/B1: 3.45713	Sterimol/B2: 3.46873	Sterimol/B3: 4.24215
Sterimol/B4: 6.35072	Sterimol/L: 15.365

Surface and Volume Properties
Accessible surface: 515.972	Positive charged surface: 295.318	Negative charged surface: 220.654	Volume: 264.875
Hydrophobic surface: 383.848	Hydrophilic surface: 132.124

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.