(E)-3-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C29H17N2O4FS Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C29H17N2O4FS
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C\c(cc1)ccc1OCC(c(cc1)ccc1F)=O
InChI	InChI=1S/C29H17FN2O4S/c30-22-9-7-19(8-10-22)26(33)16-35-23-11-5-18(6-12-23)13-21(15-31)28-32-25(17-37-28)24-14-20-3-1-2-4-27(20)36-29(24)34/h1-14,17H,16H2
InChIK	UDKOMIZBQSVHMH-UHFFFAOYSA-N
TotalMolweight	508.528
Molweight	508.528
MonoisotopicMass	508.089306
CLogP	4.3004
CLogS	-6.342
H Acceptors	6
TotalSurfaceArea	380.48
Relative PSA	0.23909
PolarSurfaceArea	117.52
Druglikeness	-1.9507
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.62162
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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1 - (E)-3-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

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