MMsINC Database Search


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

MMsINC code: MMs01275160

Type: Neutral
Formula: C₁₃H₇F₄NO

SMILES:

Fc1c(F)c(F)ccc1NC(=O)c1ccccc1F

InChI:

InChI=1/C13H7F4NO/c14-8-4-2-1-3-7(8)13(19)18-10-6-5-9(15)11(16)12(10)17/h1-6H,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.8974 kcal/mol

Physical Properties
Molecular Weight: 269.197 g/mol	logS: -4.53479	SlogP: 3.4953	Reactive groups: 0

Topological Properties
Globularity: 0.0152251	Sterimol/B1: 2.27889	Sterimol/B2: 2.68024	Sterimol/B3: 2.75662
Sterimol/B4: 5.28537	Sterimol/L: 14.5187

Surface and Volume Properties
Accessible surface: 433.314	Positive charged surface: 186.756	Negative charged surface: 246.558	Volume: 211
Hydrophobic surface: 402.075	Hydrophilic surface: 31.239

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