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

Formula:C31H33N7O2 Mutagenic:high Tumorigenic:high Reproductive Effective:high [4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is not a drug-like molecule.

MolName	[4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
MolecularFormula	C31H33N7O2
Smiles	O=C(c1cccc2ccccc12)Oc1ccc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChI	InChI=1S/C31H33N7O2/c39-28(27-13-9-11-24-10-3-4-12-26(24)27)40-25-16-14-23(15-17-25)22-32-36-29-33-30(37-18-5-1-6-19-37)35-31(34-29)38-20-7-2-8-21-38/h3-4,9-17,22H,1-2,5-8,18-21H2,(H,33,34,35,36)
InChIK	CCMYAXQJPYFERD-UHFFFAOYSA-N
TotalMolweight	535.65
Molweight	535.65
MonoisotopicMass	535.269573
CLogP	8.5534
CLogS	-8.395
H Acceptors	9
H Donors	1
TotalSurfaceArea	418.83
Relative PSA	0.20538
PolarSurfaceArea	95.84
Druglikeness	2.1862
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.525
Fragments	1
Non HAtoms	40
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	11
Symmetricatoms	12
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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