3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(furan-2-ylmethyl)amino]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one

Formula:C30H32N5O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(furan-2-ylmethyl)amino]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one is not a drug-like molecule.

MolName	3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(furan-2-ylmethyl)amino]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
MolecularFormula	C30H32N5O2FS
Smiles	O=C(CCN(Cc1ccco1)c1nc(Cc(cc2)ccc2F)ns1)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C30H32FN5O2S/c31-26-12-10-25(11-13-26)22-28-32-30(39-33-28)36(23-27-9-5-21-38-27)16-14-29(37)35-19-17-34(18-20-35)15-4-8-24-6-2-1-3-7-24/h1-13,21H,14-20,22-23H2
InChIK	SFUUIBAFRBUFKW-UHFFFAOYSA-N
TotalMolweight	545.681
Molweight	545.681
MonoisotopicMass	545.226073
CLogP	5.5865
CLogS	-3.709
H Acceptors	7
TotalSurfaceArea	427.53
Relative PSA	0.18736
PolarSurfaceArea	93.95
Druglikeness	6.8856
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	39
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	11
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	10
Symmetricatoms	6
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(furan-2-ylmethyl)amino]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one | 2 - 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(furan-2-ylmethyl)amino]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one

Request More Details | 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(furan-2-ylmethyl)amino]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one

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