N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

Formula:C25H28N7OF Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.

MolNameN-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
MolecularFormulaC25H28N7OF
SmilesFc1c(COc2c(/C=N\Nc3nc(N4CCCC4)nc(N4CCCC4)n3)cccc2)cccc1
InChIInChI=1S/C25H28FN7O/c26-21-11-3-1-10-20(21)18-34-22-12-4-2-9-19(22)17-27-31-23-28-24(32-13-5-6-14-32)30-25(29-23)33-15-7-8-16-33/h1-4,9-12,17H,5-8,13-16,18H2,(H,28,29,30,31)
InChIKIGDJAXUAZCYLBC-UHFFFAOYSA-N
TotalMolweight461.543
Molweight461.543
MonoisotopicMass461.233936
CLogP6.6934
CLogS-6.434
H Acceptors8
H Donors1
TotalSurfaceArea359.07
Relative PSA0.20325
PolarSurfaceArea78.77
Druglikeness2.3243
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms34
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms10
Symmetricatoms9
Aromatic Nitrogens3
BasicNitrogens3
StereoCon

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