4-[2-[(Z)-[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid

Formula:C22H14N3O5F Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[2-[(Z)-[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid is a drug-like molecule.

MolName	4-[2-[(Z)-[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
MolecularFormula	C22H14N3O5F
Smiles	OC(c(cc1)ccc1-n1c(/C=C(/C(NC(N2c3cccc(F)c3)=O)=O)\C2=O)ccc1)=O
InChI	InChI=1S/C22H14FN3O5/c23-14-3-1-4-17(11-14)26-20(28)18(19(27)24-22(26)31)12-16-5-2-10-25(16)15-8-6-13(7-9-15)21(29)30/h1-12H,(H,29,30)(H,24,27,31)
InChIK	BZVOQMSIFSAKGM-UHFFFAOYSA-N
TotalMolweight	419.367
Molweight	419.367
MonoisotopicMass	419.09175
CLogP	1.9802
CLogS	-6.551
H Acceptors	8
H Donors	2
TotalSurfaceArea	298.65
Relative PSA	0.29178
PolarSurfaceArea	108.71
Druglikeness	3.5468
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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