MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00679727

Type: Neutral
Formula: C₁₉H₁₄N₂O₅

SMILES:

O=C\1N(c2ccc(cc2)C(OC)=O)C(=O)NC(=O)/C/1=C/c1ccccc1

InChI:

InChI=1/C19H14N2O5/c1-26-18(24)13-7-9-14(10-8-13)21-17(23)15(16(22)20-19(21)25)11-12-5-3-2-4-6-12/h2-11H,1H3,(H,20,22,25)/b15-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.9587 kcal/mol

Physical Properties
Molecular Weight: 350.33 g/mol	logS: -4.9107	SlogP: 2.1396	Reactive groups: 0

Topological Properties
Globularity: 0.0447041	Sterimol/B1: 2.46874	Sterimol/B2: 3.12034	Sterimol/B3: 4.01651
Sterimol/B4: 5.65568	Sterimol/L: 19.4294

Surface and Volume Properties
Accessible surface: 586.134	Positive charged surface: 349.519	Negative charged surface: 236.615	Volume: 313.5
Hydrophobic surface: 424.035	Hydrophilic surface: 162.099

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.