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MMsINC code: MMs01278089

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

O(C)c1cc(ccc1OC)CC(=O)Nc1c2c(nccc2)ccc1

InChI:

InChI=1/C19H18N2O3/c1-23-17-9-8-13(11-18(17)24-2)12-19(22)21-16-7-3-6-15-14(16)5-4-10-20-15/h3-11H,12H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.869 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -4.10564	SlogP: 3.43317	Reactive groups: 0

Topological Properties
Globularity: 0.104486	Sterimol/B1: 2.28406	Sterimol/B2: 2.78382	Sterimol/B3: 5.39672
Sterimol/B4: 6.98544	Sterimol/L: 17.5529

Surface and Volume Properties
Accessible surface: 589.447	Positive charged surface: 423.775	Negative charged surface: 160.951	Volume: 312.625
Hydrophobic surface: 520.847	Hydrophilic surface: 68.6

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.