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MMsINC code: MMs01978727

Type: Tautomer
Formula: C₁₉H₁₈N₂O₃

SMILES:

O(C)c1cc2nc(O)c(cc2cc1)CCNC(=O)c1ccccc1

InChI:

InChI=1/C19H18N2O3/c1-24-16-8-7-14-11-15(19(23)21-17(14)12-16)9-10-20-18(22)13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.6743 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -3.94861	SlogP: 2.92147	Reactive groups: 0

Topological Properties
Globularity: 0.0407676	Sterimol/B1: 3.27282	Sterimol/B2: 3.39515	Sterimol/B3: 4.21098
Sterimol/B4: 5.18545	Sterimol/L: 20.7589

Surface and Volume Properties
Accessible surface: 590.76	Positive charged surface: 366.126	Negative charged surface: 219.226	Volume: 310.25
Hydrophobic surface: 464.096	Hydrophilic surface: 126.664

Pharmacophoric Properties
Hydrogen bond donors: 2	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:

Parent related molecule:

MMs01978726
IFLAB-ZINC00427778