MMsINC Database Search


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

MMsINC code: MMs00679366

Type: Neutral
Formula: C₁₇H₁₀F₄O₄

SMILES:

Fc1ccc(OC=2C(=O)c3c(OC=2C(F)(F)F)c(C)c(O)cc3)cc1

InChI:

InChI=1/C17H10F4O4/c1-8-12(22)7-6-11-13(23)15(16(17(19,20)21)25-14(8)11)24-10-4-2-9(18)3-5-10/h2-7,22H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5028 kcal/mol

Physical Properties
Molecular Weight: 354.255 g/mol	logS: -5.77582	SlogP: 4.68762	Reactive groups: 1

Topological Properties
Globularity: 0.0988193	Sterimol/B1: 3.19193	Sterimol/B2: 3.44571	Sterimol/B3: 4.22935
Sterimol/B4: 6.23677	Sterimol/L: 15.091

Surface and Volume Properties
Accessible surface: 519.481	Positive charged surface: 233.379	Negative charged surface: 286.102	Volume: 276.125
Hydrophobic surface: 357.404	Hydrophilic surface: 162.077

Pharmacophoric Properties
Hydrogen bond donors: 1	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.