MMsINC Database Search


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

MMsINC code: MMs01332908

Type: Neutral
Formula: C₂₃H₁₉F₂NO₄

SMILES:

FC(F)Oc1cc(ccc1)C(OCC(=O)NC(c1ccccc1)c1ccccc1)=O

InChI:

InChI=1/C23H19F2NO4/c24-23(25)30-19-13-7-12-18(14-19)22(28)29-15-20(27)26-21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,21,23H,15H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.2 kcal/mol

Physical Properties
Molecular Weight: 411.404 g/mol	logS: -5.60923	SlogP: 4.866	Reactive groups: 0

Topological Properties
Globularity: 0.0631787	Sterimol/B1: 2.13394	Sterimol/B2: 3.72412	Sterimol/B3: 4.70384
Sterimol/B4: 8.87127	Sterimol/L: 20.0687

Surface and Volume Properties
Accessible surface: 693.949	Positive charged surface: 358.052	Negative charged surface: 335.897	Volume: 372.625
Hydrophobic surface: 531.301	Hydrophilic surface: 162.648

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.