N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

Formula:C18H21N7O2ClF Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is a drug-like molecule.

MolNameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
MolecularFormulaC18H21N7O2ClF
SmilesFc1cccc(Cl)c1/C=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21ClFN7O2/c19-14-2-1-3-15(20)13(14)12-21-25-16-22-17(26-4-8-28-9-5-26)24-18(23-16)27-6-10-29-11-7-27/h1-3,12H,4-11H2,(H,22,23,24,25)
InChIKHFSCULGRAOKAPA-UHFFFAOYSA-N
TotalMolweight421.863
Molweight421.863
MonoisotopicMass421.142928
CLogP4.3073
CLogS-4.591
H Acceptors9
H Donors1
TotalSurfaceArea310.97
Relative PSA0.26684
PolarSurfaceArea88
Druglikeness1.9722
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.48276
Fragments1
Non HAtoms29
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms10
Aromatic Nitrogens3
BasicNitrogens3
StereoCon

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