MMsINC Database Search


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

MMsINC code: MMs00013929

Type: Neutral
Formula: C₁₈H₁₂F₆O₂

SMILES:

FC(F)(F)C(O)c1c2c(cccc2)c(c2c1cccc2)C(O)C(F)(F)F

InChI:

InChI=1/C18H12F6O2/c19-17(20,21)15(25)13-9-5-1-2-6-10(9)14(16(26)18(22,23)24)12-8-4-3-7-11(12)13/h1-8,15-16,25-26H/t15-,16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=201.81 kcal/mol

Physical Properties
Molecular Weight: 374.28 g/mol	logS: -6.84866	SlogP: 6.2152	Reactive groups: 0

Topological Properties
Globularity: 0.102417	Sterimol/B1: 2.56502	Sterimol/B2: 2.78568	Sterimol/B3: 3.88159
Sterimol/B4: 9.53044	Sterimol/L: 11.9071

Surface and Volume Properties
Accessible surface: 493.954	Positive charged surface: 168.318	Negative charged surface: 309.062	Volume: 280.125
Hydrophobic surface: 250.691	Hydrophilic surface: 243.263

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.