MMsINC Database Search


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

MMsINC code: MMs01703998

Type: Neutral
Formula: C₁₇H₁₂F₆N₂O₂

SMILES:

FC(F)(F)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCC(F)(F)F

InChI:

InChI=1/C17H12F6N2O2/c18-16(19,20)9-24-15(27)12-3-1-2-4-13(12)25-14(26)10-5-7-11(8-6-10)17(21,22)23/h1-8H,9H2,(H,24,27)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.984 kcal/mol

Physical Properties
Molecular Weight: 390.283 g/mol	logS: -5.64054	SlogP: 4.9812	Reactive groups: 0

Topological Properties
Globularity: 0.0270296	Sterimol/B1: 2.62571	Sterimol/B2: 3.17069	Sterimol/B3: 3.25176
Sterimol/B4: 9.08844	Sterimol/L: 15.621

Surface and Volume Properties
Accessible surface: 585.434	Positive charged surface: 217.076	Negative charged surface: 368.358	Volume: 301.375
Hydrophobic surface: 314.145	Hydrophilic surface: 271.289

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.