MMsINC Database Search


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MMsINC code: MMs00505174

Type: Neutral
Formula: C₁₉H₁₂N₂O₄

SMILES:

O1C(=Nc2c(cccc2)C1=O)c1ccc(NC(=O)c2occc2)cc1

InChI:

InChI=1/C19H12N2O4/c22-17(16-6-3-11-24-16)20-13-9-7-12(8-10-13)18-21-15-5-2-1-4-14(15)19(23)25-18/h1-11H,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.4274 kcal/mol

Physical Properties
Molecular Weight: 332.315 g/mol	logS: -6.23672	SlogP: 3.7806	Reactive groups: 0

Topological Properties
Globularity: 0.00935607	Sterimol/B1: 2.69769	Sterimol/B2: 2.91515	Sterimol/B3: 3.99934
Sterimol/B4: 4.64048	Sterimol/L: 19.9765

Surface and Volume Properties
Accessible surface: 575.907	Positive charged surface: 295.375	Negative charged surface: 280.531	Volume: 297.375
Hydrophobic surface: 450.14	Hydrophilic surface: 125.767

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.