3-[5-[(Z)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid

Formula:C23H25N7O3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-[5-[(Z)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is not a drug-like molecule.

MolName	3-[5-[(Z)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
MolecularFormula	C23H25N7O3
Smiles	OC(c1cc(-c2ccc(/C=N\Nc3nc(N4CCCC4)nc(N4CCCC4)n3)o2)ccc1)=O
InChI	InChI=1S/C23H25N7O3/c31-20(32)17-7-5-6-16(14-17)19-9-8-18(33-19)15-24-28-21-25-22(29-10-1-2-11-29)27-23(26-21)30-12-3-4-13-30/h5-9,14-15H,1-4,10-13H2,(H,31,32)(H,25,26,27,28)
InChIK	JUHLHZLQAOJQGK-UHFFFAOYSA-N
TotalMolweight	447.498
Molweight	447.498
MonoisotopicMass	447.201888
CLogP	5.1573
CLogS	-6.252
H Acceptors	10
H Donors	2
TotalSurfaceArea	342.75
Relative PSA	0.30118
PolarSurfaceArea	119.98
Druglikeness	5.6807
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	9
Symmetricatoms	9
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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1 - 3-[5-[(Z)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid | 2 - 3-[5-[(Z)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid

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