MMsINC Database Search


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

MMsINC code: MMs00285981

Type: Neutral
Formula: C₁₆H₂₀F₃NO₄

SMILES:

FC(F)(F)C(O)(C(OC)=O)c1ccc(N(C(=O)C)CCCC)cc1

InChI:

InChI=1/C16H20F3NO4/c1-4-5-10-20(11(2)21)13-8-6-12(7-9-13)15(23,14(22)24-3)16(17,18)19/h6-9,23H,4-5,10H2,1-3H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.611 kcal/mol

Physical Properties
Molecular Weight: 347.333 g/mol	logS: -3.79472	SlogP: 3.4939	Reactive groups: 1

Topological Properties
Globularity: 0.0955178	Sterimol/B1: 2.21447	Sterimol/B2: 3.16643	Sterimol/B3: 4.42142
Sterimol/B4: 8.03308	Sterimol/L: 14.4822

Surface and Volume Properties
Accessible surface: 565.329	Positive charged surface: 336.766	Negative charged surface: 228.563	Volume: 303.875
Hydrophobic surface: 371.322	Hydrophilic surface: 194.007

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.