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

Formula:C20H29N7O Mutagenic:high Tumorigenic:high Reproductive Effective:high 4,6-bis(azepan-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	4,6-bis(azepan-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3,5-triazin-2-amine
MolecularFormula	C20H29N7O
Smiles	C(CCC1)CCN1c1nc(N/N=C\c2ccco2)nc(N2CCCCCC2)n1
InChI	InChI=1S/C20H29N7O/c1-2-6-12-26(11-5-1)19-22-18(25-21-16-17-10-9-15-28-17)23-20(24-19)27-13-7-3-4-8-14-27/h9-10,15-16H,1-8,11-14H2,(H,22,23,24,25)
InChIK	YBIDJSGYHAQLIB-UHFFFAOYSA-N
TotalMolweight	383.498
Molweight	383.498
MonoisotopicMass	383.243358
CLogP	5.8012
CLogS	-5.541
H Acceptors	8
H Donors	1
TotalSurfaceArea	313.93
Relative PSA	0.24556
PolarSurfaceArea	82.68
Druglikeness	-0.28352
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	12
Symmetricatoms	12
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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