3-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid

Formula:C20H18N5O4F Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	3-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
MolecularFormula	C20H18N5O4F
Smiles	OC(c1cccc(-c2ccc(/C=N\Nc(nc3)nc(N4CCOCC4)c3F)o2)c1)=O
InChI	InChI=1S/C20H18FN5O4/c21-16-12-22-20(24-18(16)26-6-8-29-9-7-26)25-23-11-15-4-5-17(30-15)13-2-1-3-14(10-13)19(27)28/h1-5,10-12H,6-9H2,(H,27,28)(H,22,24,25)
InChIK	PHCSURIKAUXLGI-UHFFFAOYSA-N
TotalMolweight	411.392
Molweight	411.392
MonoisotopicMass	411.134283
CLogP	3.8516
CLogS	-4.831
H Acceptors	9
H Donors	2
TotalSurfaceArea	308.5
Relative PSA	0.31997
PolarSurfaceArea	113.08
Druglikeness	3.7217
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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