MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00405260

Type: Neutral
Formula: C₁₉H₂₄N₂O₃

SMILES:

o1cccc1C(=O)N(CC(=O)NC(C)(C)C)c1ccc(cc1)CC

InChI:

InChI=1/C19H24N2O3/c1-5-14-8-10-15(11-9-14)21(13-17(22)20-19(2,3)4)18(23)16-7-6-12-24-16/h6-12H,5,13H2,1-4H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.086 kcal/mol

Physical Properties
Molecular Weight: 328.412 g/mol	logS: -5.14379	SlogP: 3.40347	Reactive groups: 0

Topological Properties
Globularity: 0.0819211	Sterimol/B1: 2.36216	Sterimol/B2: 3.79367	Sterimol/B3: 4.60191
Sterimol/B4: 7.50276	Sterimol/L: 14.7798

Surface and Volume Properties
Accessible surface: 588.543	Positive charged surface: 366.872	Negative charged surface: 221.671	Volume: 331.125
Hydrophobic surface: 463.746	Hydrophilic surface: 124.797

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.