MMsINC Database Search


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

MMsINC code: MMs01480808

Type: Neutral
Formula: C₁₉H₂₀N₂O₅

SMILES:

Oc1ccc(cc1)C(OCC(=O)N(CC(=O)Nc1ccc(cc1)C)C)=O

InChI:

InChI=1/C19H20N2O5/c1-13-3-7-15(8-4-13)20-17(23)11-21(2)18(24)12-26-19(25)14-5-9-16(22)10-6-14/h3-10,22H,11-12H2,1-2H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.314 kcal/mol

Physical Properties
Molecular Weight: 356.378 g/mol	logS: -3.94159	SlogP: 1.95452	Reactive groups: 0

Topological Properties
Globularity: 0.0437468	Sterimol/B1: 2.21665	Sterimol/B2: 2.47475	Sterimol/B3: 4.47071
Sterimol/B4: 8.73647	Sterimol/L: 19.5252

Surface and Volume Properties
Accessible surface: 651.128	Positive charged surface: 412.94	Negative charged surface: 238.188	Volume: 334.125
Hydrophobic surface: 487.225	Hydrophilic surface: 163.903

Pharmacophoric Properties
Hydrogen bond donors: 2	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.