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N-[(Z)-[4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

Formula:C30H40N14O4 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-[4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
MolNameN-[(Z)-[4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
MolecularFormulaC30H40N14O4
SmilesC(COCC1)N1c1nc(N/N=C\c2ccc(/C=N\Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C30H40N14O4/c1-2-24(22-32-40-26-35-29(43-9-17-47-18-10-43)38-30(36-26)44-11-19-48-20-12-44)4-3-23(1)21-31-39-25-33-27(41-5-13-45-14-6-41)37-28(34-25)42-7-15-46-16-8-42/h1-4,21-22H,5-20H2,(H,33,34,37,39)(H,35,36,38,40)
InChIKMKEVYRLFJGVSQJ-UHFFFAOYSA-N
TotalMolweight660.742
Molweight660.742
MonoisotopicMass660.335696
CLogP5.5414
CLogS-5.466
H Acceptors18
H Donors2
TotalSurfaceArea505.14
Relative PSA0.32854
PolarSurfaceArea176
Druglikeness3.2985
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms48
NonCHAtoms18
Electronegative Atoms18
Rotatable Bond10
Rings Closures7
Small Rings7
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms20
Symmetricatoms35
Aromatic Nitrogens6
BasicNitrogens6
StereoCon

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