4-N-(4-fluorophenyl)-2-N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

Formula:C19H20N7OF Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N-(4-fluorophenyl)-2-N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-(4-fluorophenyl)-2-N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C19H20N7OF
Smiles	Fc(cc1)ccc1Nc1nc(N2CCCCC2)nc(N/N=C/c2ccco2)n1
InChI	InChI=1S/C19H20FN7O/c20-14-6-8-15(9-7-14)22-17-23-18(26-21-13-16-5-4-12-28-16)25-19(24-17)27-10-2-1-3-11-27/h4-9,12-13H,1-3,10-11H2,(H2,22,23,24,25,26)
InChIK	ANDCOOMDDOLLRM-UHFFFAOYSA-N
TotalMolweight	381.414
Molweight	381.414
MonoisotopicMass	381.171336
CLogP	5.9154
CLogS	-5.901
H Acceptors	8
H Donors	2
TotalSurfaceArea	298.38
Relative PSA	0.28487
PolarSurfaceArea	91.47
Druglikeness	1.0167
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
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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