MMsINC Database Search


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

MMsINC code: MMs02022305

Type: Neutral
Formula: C₂₀H₂₄N₂O₄

SMILES:

O1CCN(CC1)CC(=O)c1cc(n(c1C)-c1ccc(cc1)C(OC)=O)C

InChI:

InChI=1/C20H24N2O4/c1-14-12-18(19(23)13-21-8-10-26-11-9-21)15(2)22(14)17-6-4-16(5-7-17)20(24)25-3/h4-7,12H,8-11,13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.939 kcal/mol

Physical Properties
Molecular Weight: 356.422 g/mol	logS: -3.04876	SlogP: 2.39564	Reactive groups: 0

Topological Properties
Globularity: 0.0373832	Sterimol/B1: 2.23677	Sterimol/B2: 3.22777	Sterimol/B3: 3.72347
Sterimol/B4: 7.2919	Sterimol/L: 20.3062

Surface and Volume Properties
Accessible surface: 637.33	Positive charged surface: 471.069	Negative charged surface: 166.262	Volume: 349.875
Hydrophobic surface: 554.02	Hydrophilic surface: 83.31

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.