3-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol

Formula:C18H23N7O3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol is a drug-like molecule.

MolName3-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
MolecularFormulaC18H23N7O3
SmilesOc1cccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C18H23N7O3/c26-15-3-1-2-14(12-15)13-19-23-16-20-17(24-4-8-27-9-5-24)22-18(21-16)25-6-10-28-11-7-25/h1-3,12-13,26H,4-11H2,(H,20,21,22,23)
InChIKFAAPUUJKDNIDJC-UHFFFAOYSA-N
TotalMolweight385.427
Molweight385.427
MonoisotopicMass385.186238
CLogP3.2548
CLogS-3.245
H Acceptors10
H Donors2
TotalSurfaceArea295.55
Relative PSA0.32509
PolarSurfaceArea108.23
Druglikeness3.2651
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms28
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms11
Symmetricatoms10
Aromatic Nitrogens3
BasicNitrogens3
StereoCon

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