2-N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

Formula:C30H28N8ClF Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C30H28N8ClF
Smiles	Fc(cc1)ccc1Nc1nc(N/N=C\c2cn(Cc(cc3)ccc3Cl)c3c2cccc3)nc(N2CCCCC2)n1
InChI	InChI=1S/C30H28ClFN8/c31-23-10-8-21(9-11-23)19-40-20-22(26-6-2-3-7-27(26)40)18-33-38-29-35-28(34-25-14-12-24(32)13-15-25)36-30(37-29)39-16-4-1-5-17-39/h2-3,6-15,18,20H,1,4-5,16-17,19H2,(H2,34,35,36,37,38)
InChIK	JSNXRPBDQAFYJL-UHFFFAOYSA-N
TotalMolweight	555.059
Molweight	555.059
MonoisotopicMass	554.210947
CLogP	8.8624
CLogS	-7.933
H Acceptors	8
H Donors	2
TotalSurfaceArea	421.43
Relative PSA	0.18451
PolarSurfaceArea	83.26
Druglikeness	1.7759
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.525
Fragments	1
Non HAtoms	40
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	6
Symmetricatoms	6
Aromatic Nitrogens	4
BasicNitrogens	3
StereoCon

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1 - 2-N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine | 2 - 2-N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

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