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

Formula:C30H27N8Cl2F Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-[1-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C30H27N8Cl2F
Smiles	Fc(cc1)ccc1Nc1nc(N/N=C\c2cn(Cc(ccc(Cl)c3)c3Cl)c3c2cccc3)nc(N2CCCCC2)n1
InChI	InChI=1S/C30H27Cl2FN8/c31-22-9-8-20(26(32)16-22)18-41-19-21(25-6-2-3-7-27(25)41)17-34-39-29-36-28(35-24-12-10-23(33)11-13-24)37-30(38-29)40-14-4-1-5-15-40/h2-3,6-13,16-17,19H,1,4-5,14-15,18H2,(H2,35,36,37,38,39)
InChIK	CFJQYRAMSVLQAS-UHFFFAOYSA-N
TotalMolweight	589.504
Molweight	589.504
MonoisotopicMass	588.171974
CLogP	9.4684
CLogS	-8.669
H Acceptors	8
H Donors	2
TotalSurfaceArea	436.85
Relative PSA	0.178
PolarSurfaceArea	83.26
Druglikeness	1.7759
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5122
Fragments	1
Non HAtoms	41
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	4
BasicNitrogens	3
StereoCon

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

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