N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

Formula:C33H36N8 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
MolecularFormula	C33H36N8
Smiles	C(c1cccc2ccccc12)n1c(cccc2)c2c(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1
InChI	InChI=1S/C33H36N8/c1-7-18-39(19-8-1)32-35-31(36-33(37-32)40-20-9-2-10-21-40)38-34-22-27-24-41(30-17-6-5-16-29(27)30)23-26-14-11-13-25-12-3-4-15-28(25)26/h3-6,11-17,22,24H,1-2,7-10,18-21,23H2,(H,35,36,37,38)
InChIK	QNOQXXSQSYILOY-UHFFFAOYSA-N
TotalMolweight	544.705
Molweight	544.705
MonoisotopicMass	544.306292
CLogP	8.6526
CLogS	-7.903
H Acceptors	8
H Donors	1
TotalSurfaceArea	428.64
Relative PSA	0.16296
PolarSurfaceArea	74.47
Druglikeness	3.0204
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.46341
Fragments	1
Non HAtoms	41
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	7
Small Rings	7
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	11
Symmetricatoms	10
Aromatic Nitrogens	4
BasicNitrogens	3
StereoCon

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1 - N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine | 2 - N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

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