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MMsINC code: MMs01992870

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

OC(=O)c1ccccc1C(=O)n1c2c(nc1CCCC)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.5715 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -5.0477	SlogP: 3.76557	Reactive groups: 0

Topological Properties
Globularity: 0.181003	Sterimol/B1: 3.50341	Sterimol/B2: 4.22122	Sterimol/B3: 5.05729
Sterimol/B4: 7.34292	Sterimol/L: 14.2086

Surface and Volume Properties
Accessible surface: 551.29	Positive charged surface: 343.108	Negative charged surface: 208.182	Volume: 309.125
Hydrophobic surface: 418.781	Hydrophilic surface: 132.509

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

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Ions/Tautomers related molecules

MMs01992871
IFLAB-ZINC02666077