[2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzothiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Formula:C26H25N5OS Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzothiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is not a drug-like molecule.

MolName	[2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzothiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
MolecularFormula	C26H25N5OS
Smiles	O=C(c1cccc2c1nc(N(CCC1)c3c1cccc3)s2)N(CC1)CCN1c1ncccc1
InChI	InChI=1S/C26H25N5OS/c32-25(30-17-15-29(16-18-30)23-12-3-4-13-27-23)20-9-5-11-22-24(20)28-26(33-22)31-14-6-8-19-7-1-2-10-21(19)31/h1-5,7,9-13H,6,8,14-18H2
InChIK	YNDZCRRVWFAEAZ-UHFFFAOYSA-N
TotalMolweight	455.585
Molweight	455.585
MonoisotopicMass	455.17798
CLogP	5.2837
CLogS	-6.045
H Acceptors	6
TotalSurfaceArea	338.81
Relative PSA	0.19477
PolarSurfaceArea	80.81
Druglikeness	6.2574
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	7
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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