(E)-3-[5-(4-benzylpiperidin-1-yl)thiadiazol-4-yl]-1-naphthalen-2-ylprop-2-en-1-one

Formula:C27H25N3OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[5-(4-benzylpiperidin-1-yl)thiadiazol-4-yl]-1-naphthalen-2-ylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[5-(4-benzylpiperidin-1-yl)thiadiazol-4-yl]-1-naphthalen-2-ylprop-2-en-1-one
MolecularFormula	C27H25N3OS
Smiles	O=C(/C=C/c1c(N2CCC(Cc3ccccc3)CC2)snn1)c1cc2ccccc2cc1
InChI	InChI=1S/C27H25N3OS/c31-26(24-11-10-22-8-4-5-9-23(22)19-24)13-12-25-27(32-29-28-25)30-16-14-21(15-17-30)18-20-6-2-1-3-7-20/h1-13,19,21H,14-18H2
InChIK	SUHNYIGYHJNVSM-UHFFFAOYSA-N
TotalMolweight	439.582
Molweight	439.582
MonoisotopicMass	439.171832
CLogP	6.2168
CLogS	-7.544
H Acceptors	4
TotalSurfaceArea	343.19
Relative PSA	0.1716
PolarSurfaceArea	74.33
Druglikeness	0.88537
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	7
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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