MMsINC Database Search


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

MMsINC code: MMs00334604

Type: Neutral
Formula: C₁₉H₁₉FN₂O₄

SMILES:

Fc1cc(ccc1)C(=O)Nc1cc(C(OC)=O)c(N2CCOCC2)cc1

InChI:

InChI=1/C19H19FN2O4/c1-25-19(24)16-12-15(5-6-17(16)22-7-9-26-10-8-22)21-18(23)13-3-2-4-14(20)11-13/h2-6,11-12H,7-10H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=163.143 kcal/mol

Physical Properties
Molecular Weight: 358.369 g/mol	logS: -4.25047	SlogP: 2.7012	Reactive groups: 0

Topological Properties
Globularity: 0.0496808	Sterimol/B1: 2.27262	Sterimol/B2: 2.96757	Sterimol/B3: 4.32968
Sterimol/B4: 8.70272	Sterimol/L: 17.5359

Surface and Volume Properties
Accessible surface: 603.34	Positive charged surface: 416.608	Negative charged surface: 186.732	Volume: 326.25
Hydrophobic surface: 519.508	Hydrophilic surface: 83.832

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.