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MMsINC code: MMs00494800

Type: Tautomer
Formula: C₁₉H₁₈N₂O₄

SMILES:

O=C1C(C(=O)c2ccccc2)C(N(CC(O)C)C1=O)c1cccnc1

InChI:

InChI=1/C19H18N2O4/c1-12(22)11-21-16(14-8-5-9-20-10-14)15(18(24)19(21)25)17(23)13-6-3-2-4-7-13/h2-10,12,15-16,22H,11H2,1H3/t12-,15-,16+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.9413 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -2.62747	SlogP: 1.5094	Reactive groups: 0

Topological Properties
Globularity: 0.151566	Sterimol/B1: 2.34799	Sterimol/B2: 3.07487	Sterimol/B3: 4.98936
Sterimol/B4: 8.67431	Sterimol/L: 15.2967

Surface and Volume Properties
Accessible surface: 569.115	Positive charged surface: 327.7	Negative charged surface: 241.415	Volume: 315.375
Hydrophobic surface: 406.63	Hydrophilic surface: 162.485

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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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Parent related molecule:

MMs00494799
CHEMBLOCK-ZINC00081754