MMsINC Database Search


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

MMsINC code: MMs00610538

Type: Neutral
Formula: C₁₉H₂₄N₂O₃

SMILES:

O=C1N(CC(C)C)C(=O)c2c1cc(cc2)C(=O)NC1CCCCC1

InChI:

InChI=1/C19H24N2O3/c1-12(2)11-21-18(23)15-9-8-13(10-16(15)19(21)24)17(22)20-14-6-4-3-5-7-14/h8-10,12,14H,3-7,11H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.6157 kcal/mol

Physical Properties
Molecular Weight: 328.412 g/mol	logS: -4.28275	SlogP: 3.0011	Reactive groups: 0

Topological Properties
Globularity: 0.0371603	Sterimol/B1: 2.79312	Sterimol/B2: 3.39769	Sterimol/B3: 3.68324
Sterimol/B4: 5.32104	Sterimol/L: 19.208

Surface and Volume Properties
Accessible surface: 595.669	Positive charged surface: 400.876	Negative charged surface: 194.794	Volume: 326
Hydrophobic surface: 452.794	Hydrophilic surface: 142.875

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.