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MMsINC code: MMs00849450

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

O(CC)c1cc2c(nc(cc2Nc2cc(ccc2)C(O)=O)C)cc1

InChI:

InChI=1/C19H18N2O3/c1-3-24-15-7-8-17-16(11-15)18(9-12(2)20-17)21-14-6-4-5-13(10-14)19(22)23/h4-11H,3H2,1-2H3,(H,20,21)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.939 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -4.25412	SlogP: 4.38372	Reactive groups: 0

Topological Properties
Globularity: 0.0460514	Sterimol/B1: 3.13644	Sterimol/B2: 3.35738	Sterimol/B3: 3.66954
Sterimol/B4: 7.88264	Sterimol/L: 17.4923

Surface and Volume Properties
Accessible surface: 583.534	Positive charged surface: 360.458	Negative charged surface: 218.008	Volume: 309.875
Hydrophobic surface: 434.354	Hydrophilic surface: 149.18

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00849451
CHEMDIV-ZINC00319245