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MMsINC code: MMs00471943

Type: Neutral
Formula: C₁₉H₁₄N₂O₄

SMILES:

O=C1N(C(Cc2[nH]c3c(c2)cccc3)C(O)=O)C(=O)c2c1cccc2

InChI:

InChI=1/C19H14N2O4/c22-17-13-6-2-3-7-14(13)18(23)21(17)16(19(24)25)10-12-9-11-5-1-4-8-15(11)20-12/h1-9,16,20H,10H2,(H,24,25)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.8519 kcal/mol

Physical Properties
Molecular Weight: 334.331 g/mol	logS: -4.20276	SlogP: 2.45977	Reactive groups: 0

Topological Properties
Globularity: 0.12526	Sterimol/B1: 2.96649	Sterimol/B2: 3.18917	Sterimol/B3: 4.46431
Sterimol/B4: 9.22314	Sterimol/L: 13.5769

Surface and Volume Properties
Accessible surface: 547.906	Positive charged surface: 287.37	Negative charged surface: 256.638	Volume: 301.625
Hydrophobic surface: 385.264	Hydrophilic surface: 162.642

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00471944
AURORAFEINCHEMIE-ZINC04992122