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MMsINC code: MMs00245200

Type: Neutral
Formula: C₁₉H₂₃N₃O₅

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)Nc1ccc(nc1)NC(=O)C(C)C

InChI:

InChI=1/C19H23N3O5/c1-11(2)18(23)22-16-7-6-13(10-20-16)21-19(24)12-8-14(25-3)17(27-5)15(9-12)26-4/h6-11H,1-5H3,(H,21,24)(H,20,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.088 kcal/mol

Physical Properties
Molecular Weight: 373.409 g/mol	logS: -3.17212	SlogP: 2.9542	Reactive groups: 0

Topological Properties
Globularity: 0.0276991	Sterimol/B1: 2.62983	Sterimol/B2: 4.08564	Sterimol/B3: 4.72119
Sterimol/B4: 6.92694	Sterimol/L: 20.3918

Surface and Volume Properties
Accessible surface: 668.263	Positive charged surface: 519.337	Negative charged surface: 148.926	Volume: 353.125
Hydrophobic surface: 521.144	Hydrophilic surface: 147.119

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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.