MMsINC Database Search


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

MMsINC code: MMs01474496

Type: Neutral
Formula: C₁₉H₂₄N₂O₄

SMILES:

o1nc(-c2ccccc2)c(C(OCC(=O)N(C(C)C)C(C)C)=O)c1C

InChI:

InChI=1/C19H24N2O4/c1-12(2)21(13(3)4)16(22)11-24-19(23)17-14(5)25-20-18(17)15-9-7-6-8-10-15/h6-10,12-13H,11H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7635 kcal/mol

Physical Properties
Molecular Weight: 344.411 g/mol	logS: -4.49695	SlogP: 3.45222	Reactive groups: 0

Topological Properties
Globularity: 0.128571	Sterimol/B1: 2.29121	Sterimol/B2: 4.11232	Sterimol/B3: 4.3234
Sterimol/B4: 10.2075	Sterimol/L: 14.6948

Surface and Volume Properties
Accessible surface: 631.966	Positive charged surface: 350.262	Negative charged surface: 281.704	Volume: 341.5
Hydrophobic surface: 479.327	Hydrophilic surface: 152.639

Pharmacophoric Properties
Hydrogen bond donors: 0	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.