MMsINC Database Search


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MMsINC code: MMs00798238

Type: Neutral
Formula: C₂₂H₁₆N₂O₄

SMILES:

O1C(=Nc2c(cccc2)C1=O)c1ccc(NC(=O)c2ccccc2OC)cc1

InChI:

InChI=1/C22H16N2O4/c1-27-19-9-5-3-7-17(19)20(25)23-15-12-10-14(11-13-15)21-24-18-8-4-2-6-16(18)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)=121.759 kcal/mol

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

Topological Properties
Globularity: 0.00941883	Sterimol/B1: 2.26524	Sterimol/B2: 2.38931	Sterimol/B3: 3.34312
Sterimol/B4: 7.55316	Sterimol/L: 20.3302

Surface and Volume Properties
Accessible surface: 639.845	Positive charged surface: 381.013	Negative charged surface: 258.831	Volume: 344.25
Hydrophobic surface: 532.398	Hydrophilic surface: 107.447

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.