4-[[2-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoic acid

Formula:C25H19N2O5F Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[2-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoic acid is a drug-like molecule.

MolName	4-[[2-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoic acid
MolecularFormula	C25H19N2O5F
Smiles	OC(c1ccc(COc2c(/C=C(\C(N3Cc(cc4)ccc4F)=O)/NC3=O)cccc2)cc1)=O
InChI	InChI=1S/C25H19FN2O5/c26-20-11-7-16(8-12-20)14-28-23(29)21(27-25(28)32)13-19-3-1-2-4-22(19)33-15-17-5-9-18(10-6-17)24(30)31/h1-13H,14-15H2,(H,27,32)(H,30,31)
InChIK	DUOBQICUYBZEOD-UHFFFAOYSA-N
TotalMolweight	446.433
Molweight	446.433
MonoisotopicMass	446.127801
CLogP	3.4733
CLogS	-5.365
H Acceptors	7
H Donors	2
TotalSurfaceArea	329.22
Relative PSA	0.23458
PolarSurfaceArea	95.94
Druglikeness	3.2745
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! 5-methylene-imidazolidine-2,4-dione
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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