MMsINC Database Search


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

MMsINC code: MMs01337973

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

O=C1N(Cc2ccc(cc2)C(OC)=O)C(=O)NC1(C)c1ccc(cc1)C

InChI:

InChI=1/C20H20N2O4/c1-13-4-10-16(11-5-13)20(2)18(24)22(19(25)21-20)12-14-6-8-15(9-7-14)17(23)26-3/h4-11H,12H2,1-3H3,(H,21,25)/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.7895 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -4.75315	SlogP: 3.32672	Reactive groups: 0

Topological Properties
Globularity: 0.125381	Sterimol/B1: 1.969	Sterimol/B2: 3.537	Sterimol/B3: 4.09391
Sterimol/B4: 9.96255	Sterimol/L: 15.0478

Surface and Volume Properties
Accessible surface: 611.528	Positive charged surface: 388.35	Negative charged surface: 223.178	Volume: 333.625
Hydrophobic surface: 470.502	Hydrophilic surface: 141.026

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.