[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

Formula:C28H32N5OFS Mutagenic:none Tumorigenic:none Reproductive Effective:low [1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is not a drug-like molecule.

MolName	[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
MolecularFormula	C28H32N5OFS
Smiles	O=C(C(CC1)CCN1c1nc(Cc(cc2)ccc2F)ns1)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C28H32FN5OS/c29-25-10-8-23(9-11-25)21-26-30-28(36-31-26)34-15-12-24(13-16-34)27(35)33-19-17-32(18-20-33)14-4-7-22-5-2-1-3-6-22/h1-11,24H,12-21H2
InChIK	VXOWODXXJSMMHS-UHFFFAOYSA-N
TotalMolweight	505.66
Molweight	505.66
MonoisotopicMass	505.231158
CLogP	5.3249
CLogS	-3.25
H Acceptors	6
TotalSurfaceArea	390.84
Relative PSA	0.16884
PolarSurfaceArea	80.81
Druglikeness	8.9065
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.69444
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	12
Symmetricatoms	8
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - [1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone | 2 - [1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

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