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

Formula:C22H23N7O2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C22H23N7O2
Smiles	C1Oc(cc(/C=N\Nc2nc(N3CCCCC3)nc(Nc3ccccc3)n2)cc2)c2O1
InChI	InChI=1S/C22H23N7O2/c1-3-7-17(8-4-1)24-20-25-21(27-22(26-20)29-11-5-2-6-12-29)28-23-14-16-9-10-18-19(13-16)31-15-30-18/h1,3-4,7-10,13-14H,2,5-6,11-12,15H2,(H2,24,25,26,27,28)
InChIK	DCHZUJBSTXIBMK-UHFFFAOYSA-N
TotalMolweight	417.472
Molweight	417.472
MonoisotopicMass	417.191323
CLogP	6.7373
CLogS	-6.616
H Acceptors	9
H Donors	2
TotalSurfaceArea	322.6
Relative PSA	0.28174
PolarSurfaceArea	96.79
Druglikeness	2.5845
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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

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