4-[5-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

Formula:C25H29N7O3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[5-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid is not a drug-like molecule.

MolName	4-[5-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
MolecularFormula	C25H29N7O3
Smiles	OC(c(cc1)ccc1-c1ccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)o1)=O
InChI	InChI=1S/C25H29N7O3/c33-22(34)19-9-7-18(8-10-19)21-12-11-20(35-21)17-26-30-23-27-24(31-13-3-1-4-14-31)29-25(28-23)32-15-5-2-6-16-32/h7-12,17H,1-6,13-16H2,(H,33,34)(H,27,28,29,30)
InChIK	OKMURKKSSNWQSV-UHFFFAOYSA-N
TotalMolweight	475.551
Molweight	475.551
MonoisotopicMass	475.233188
CLogP	5.8413
CLogS	-6.792
H Acceptors	10
H Donors	2
TotalSurfaceArea	370.27
Relative PSA	0.2788
PolarSurfaceArea	119.98
Druglikeness	4.1556
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	11
Symmetricatoms	12
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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