N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine

Formula:C28H32N8O Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
MolecularFormula	C28H32N8O
Smiles	C(c1ccccc1)n1c(cccc2)c2c(/C=N\Nc2nc(N3CCOCC3)nc(N3CCCCC3)n2)c1
InChI	InChI=1S/C28H32N8O/c1-3-9-22(10-4-1)20-36-21-23(24-11-5-6-12-25(24)36)19-29-33-26-30-27(34-13-7-2-8-14-34)32-28(31-26)35-15-17-37-18-16-35/h1,3-6,9-12,19,21H,2,7-8,13-18,20H2,(H,30,31,32,33)
InChIK	CDWLFEVQCGBULK-UHFFFAOYSA-N
TotalMolweight	496.617
Molweight	496.617
MonoisotopicMass	496.269907
CLogP	6.2942
CLogS	-5.408
H Acceptors	9
H Donors	1
TotalSurfaceArea	390.28
Relative PSA	0.2046
PolarSurfaceArea	83.7
Druglikeness	1.815
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48649
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	11
Symmetricatoms	6
Aromatic Nitrogens	4
BasicNitrogens	3
StereoCon

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