4,6-bis(azepan-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3,5-triazin-2-amine

Formula:C21H30N8 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4,6-bis(azepan-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	4,6-bis(azepan-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3,5-triazin-2-amine
MolecularFormula	C21H30N8
Smiles	C(CCC1)CCN1c1nc(N/N=C\c2cnccc2)nc(N2CCCCCC2)n1
InChI	InChI=1S/C21H30N8/c1-2-6-13-28(12-5-1)20-24-19(27-23-17-18-10-9-11-22-16-18)25-21(26-20)29-14-7-3-4-8-15-29/h9-11,16-17H,1-8,12-15H2,(H,24,25,26,27)
InChIK	MZPIMWIDGROWNI-UHFFFAOYSA-N
TotalMolweight	394.525
Molweight	394.525
MonoisotopicMass	394.259342
CLogP	5.6116
CLogS	-5.064
H Acceptors	8
H Donors	1
TotalSurfaceArea	323
Relative PSA	0.22895
PolarSurfaceArea	82.43
Druglikeness	0.31944
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	12
Aromatic Nitrogens	4
BasicNitrogens	3
StereoCon

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