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MMsINC code: MMs01812483

Type: Neutral
Formula: C₁₉H₁₉N₃O₄

SMILES:

O(c1cnc(nc1-c1ccc(OCC)cc1O)N)c1ccccc1OC

InChI:

InChI=1/C19H19N3O4/c1-3-25-12-8-9-13(14(23)10-12)18-17(11-21-19(20)22-18)26-16-7-5-4-6-15(16)24-2/h4-11,23H,3H2,1-2H3,(H2,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.2121 kcal/mol

Physical Properties
Molecular Weight: 353.378 g/mol	logS: -4.85427	SlogP: 3.631	Reactive groups: 0

Topological Properties
Globularity: 0.143712	Sterimol/B1: 2.75595	Sterimol/B2: 4.87469	Sterimol/B3: 4.89413
Sterimol/B4: 8.79611	Sterimol/L: 15.7481

Surface and Volume Properties
Accessible surface: 626.214	Positive charged surface: 442.287	Negative charged surface: 180.049	Volume: 330.75
Hydrophobic surface: 448.033	Hydrophilic surface: 178.181

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.