MMsINC Database Search


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MMsINC code: MMs00892522

Type: Neutral
Formula: C₁₉H₂₁N₃O₃

SMILES:

O(C)c1ccccc1-n1c2c(nc1C)cc(cc2)C(=O)NCCOC

InChI:

InChI=1/C19H21N3O3/c1-13-21-15-12-14(19(23)20-10-11-24-2)8-9-16(15)22(13)17-6-4-5-7-18(17)25-3/h4-9,12H,10-11H2,1-3H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.3671 kcal/mol

Physical Properties
Molecular Weight: 339.395 g/mol	logS: -3.85389	SlogP: 2.71872	Reactive groups: 0

Topological Properties
Globularity: 0.0947043	Sterimol/B1: 2.43215	Sterimol/B2: 3.77839	Sterimol/B3: 5.94609
Sterimol/B4: 7.43747	Sterimol/L: 16.4291

Surface and Volume Properties
Accessible surface: 632.123	Positive charged surface: 452.736	Negative charged surface: 179.387	Volume: 332.75
Hydrophobic surface: 556.695	Hydrophilic surface: 75.428

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.