N-[(Z)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

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

MolName	N-[(Z)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
MolecularFormula	C28H32N8O
Smiles	C(COc1ccccc1)n1c(cccc2)c2c(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1
InChI	InChI=1S/C28H32N8O/c1-2-10-23(11-3-1)37-19-18-36-21-22(24-12-4-5-13-25(24)36)20-29-33-26-30-27(34-14-6-7-15-34)32-28(31-26)35-16-8-9-17-35/h1-5,10-13,20-21H,6-9,14-19H2,(H,30,31,32,33)
InChIK	HFVGRUARPXHZOA-UHFFFAOYSA-N
TotalMolweight	496.617
Molweight	496.617
MonoisotopicMass	496.269907
CLogP	6.6914
CLogS	-5.922
H Acceptors	9
H Donors	1
TotalSurfaceArea	390.28
Relative PSA	0.2046
PolarSurfaceArea	83.7
Druglikeness	4.451
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	11
Symmetricatoms	11
Aromatic Nitrogens	4
BasicNitrogens	3
StereoCon

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