(E)-2-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylphenyl)-1-phenylprop-2-en-1-one

Formula:C26H22N2O2S Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylphenyl)-1-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylphenyl)-1-phenylprop-2-en-1-one
MolecularFormula	C26H22N2O2S
Smiles	O=C(/C(/c1nc(cccc2)c2s1)=C\c(cc1)ccc1N1CCOCC1)c1ccccc1
InChI	InChI=1S/C26H22N2O2S/c29-25(20-6-2-1-3-7-20)22(26-27-23-8-4-5-9-24(23)31-26)18-19-10-12-21(13-11-19)28-14-16-30-17-15-28/h1-13,18H,14-17H2
InChIK	XAFNWJWTPVDGOJ-UHFFFAOYSA-N
TotalMolweight	426.539
Molweight	426.539
MonoisotopicMass	426.140198
CLogP	4.3168
CLogS	-5.164
H Acceptors	4
TotalSurfaceArea	326.38
Relative PSA	0.17746
PolarSurfaceArea	70.67
Druglikeness	3.4222
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Symmetricatoms	6
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
StereoCon

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