MMsINC Database Search


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

MMsINC code: MMs01378550

Type: Neutral
Formula: C₁₉H₁₇F₂NO₃

SMILES:

FC(F)Oc1ccc(cc1)CN(C(=O)c1oc2c(cccc2)c1C)C

InChI:

InChI=1/C19H17F2NO3/c1-12-15-5-3-4-6-16(15)25-17(12)18(23)22(2)11-13-7-9-14(10-8-13)24-19(20)21/h3-10,19H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.1664 kcal/mol

Physical Properties
Molecular Weight: 345.345 g/mol	logS: -5.08589	SlogP: 5.30112	Reactive groups: 0

Topological Properties
Globularity: 0.120684	Sterimol/B1: 2.15446	Sterimol/B2: 2.67257	Sterimol/B3: 5.24111
Sterimol/B4: 6.89115	Sterimol/L: 16.2339

Surface and Volume Properties
Accessible surface: 567.941	Positive charged surface: 338.384	Negative charged surface: 224.548	Volume: 314.625
Hydrophobic surface: 455.267	Hydrophilic surface: 112.674

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.