MMsINC Database Search


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

MMsINC code: MMs01647060

Type: Neutral
Formula: C₁₅H₁₀F₅NO

SMILES:

Fc1c(F)c(cc(F)c1F)C(=O)NC(C)c1ccc(F)cc1

InChI:

InChI=1/C15H10F5NO/c1-7(8-2-4-9(16)5-3-8)21-15(22)10-6-11(17)13(19)14(20)12(10)18/h2-7H,1H3,(H,21,22)/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.0036 kcal/mol

Physical Properties
Molecular Weight: 315.241 g/mol	logS: -5.10102	SlogP: 3.9686	Reactive groups: 0

Topological Properties
Globularity: 0.0711317	Sterimol/B1: 2.1679	Sterimol/B2: 2.29061	Sterimol/B3: 4.69276
Sterimol/B4: 6.49447	Sterimol/L: 14.5195

Surface and Volume Properties
Accessible surface: 491.466	Positive charged surface: 207.6	Negative charged surface: 283.867	Volume: 249.875
Hydrophobic surface: 441.295	Hydrophilic surface: 50.171

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.