MMsINC Database Search


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MMsINC code: MMs01389061

Type: Neutral
Formula: C₁₉H₁₉N₃O₄

SMILES:

O(CC(=O)Nc1cc(OC)cc(OC)c1)c1ccc(-n2ccnc2)cc1

InChI:

InChI=1/C19H19N3O4/c1-24-17-9-14(10-18(11-17)25-2)21-19(23)12-26-16-5-3-15(4-6-16)22-8-7-20-13-22/h3-11,13H,12H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.525 kcal/mol

Physical Properties
Molecular Weight: 353.378 g/mol	logS: -3.85454	SlogP: 2.907	Reactive groups: 0

Topological Properties
Globularity: 0.0111341	Sterimol/B1: 2.19361	Sterimol/B2: 2.53409	Sterimol/B3: 3.41052
Sterimol/B4: 6.6664	Sterimol/L: 21.0392

Surface and Volume Properties
Accessible surface: 631.619	Positive charged surface: 442.9	Negative charged surface: 188.719	Volume: 333.375
Hydrophobic surface: 517.555	Hydrophilic surface: 114.064

Pharmacophoric Properties
Hydrogen bond donors: 1	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.