3-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol

Formula:C20H27N7O Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol is not a drug-like molecule.

MolName	3-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
MolecularFormula	C20H27N7O
Smiles	Oc1cc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1
InChI	InChI=1S/C20H27N7O/c28-17-9-7-8-16(14-17)15-21-25-18-22-19(26-10-3-1-4-11-26)24-20(23-18)27-12-5-2-6-13-27/h7-9,14-15,28H,1-6,10-13H2,(H,22,23,24,25)
InChIK	PULQMUPKGJAOAJ-UHFFFAOYSA-N
TotalMolweight	381.482
Molweight	381.482
MonoisotopicMass	381.227708
CLogP	5.5828
CLogS	-5.023
H Acceptors	8
H Donors	2
TotalSurfaceArea	303.07
Relative PSA	0.25103
PolarSurfaceArea	89.77
Druglikeness	2.6841
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	10
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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