4-N-phenyl-6-piperidin-1-yl-2-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3,5-triazine-2,4-diamine

Formula:C19H21N7S Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N-phenyl-6-piperidin-1-yl-2-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-phenyl-6-piperidin-1-yl-2-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3,5-triazine-2,4-diamine
MolecularFormula	C19H21N7S
Smiles	C(CC1)CCN1c1nc(Nc2ccccc2)nc(N/N=C\c2cccs2)n1
InChI	InChI=1S/C19H21N7S/c1-3-8-15(9-4-1)21-17-22-18(25-20-14-16-10-7-13-27-16)24-19(23-17)26-11-5-2-6-12-26/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H2,21,22,23,24,25)
InChIK	OZBBQFBEMOJTMW-UHFFFAOYSA-N
TotalMolweight	379.491
Molweight	379.491
MonoisotopicMass	379.157913
CLogP	6.4925
CLogS	-5.915
H Acceptors	7
H Donors	2
TotalSurfaceArea	298.28
Relative PSA	0.30592
PolarSurfaceArea	106.57
Druglikeness	4.2204
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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