MMsINC Database Search


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MMsINC code: MMs00231428

Type: Neutral
Formula: C₂₂H₁₆N₂O₄

SMILES:

O1C(=Nc2c(cccc2)C1=O)c1ccc(NC(=O)c2cc(OC)ccc2)cc1

InChI:

InChI=1/C22H16N2O4/c1-27-17-6-4-5-15(13-17)20(25)23-16-11-9-14(10-12-16)21-24-19-8-3-2-7-18(19)22(26)28-21/h2-13H,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.613 kcal/mol

Physical Properties
Molecular Weight: 372.38 g/mol	logS: -6.53553	SlogP: 4.1962	Reactive groups: 0

Topological Properties
Globularity: 0.00585259	Sterimol/B1: 2.29484	Sterimol/B2: 2.92395	Sterimol/B3: 2.95591
Sterimol/B4: 6.15646	Sterimol/L: 21.4859

Surface and Volume Properties
Accessible surface: 637.033	Positive charged surface: 371.197	Negative charged surface: 265.837	Volume: 343.875
Hydrophobic surface: 519.009	Hydrophilic surface: 118.024

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.