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

Formula:C20H25N7O3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[3-[(Z)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[3-[(Z)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
MolecularFormula	C20H25N7O3
Smiles	OC(COc1cc(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1)=O
InChI	InChI=1S/C20H25N7O3/c28-17(29)14-30-16-7-5-6-15(12-16)13-21-25-18-22-19(26-8-1-2-9-26)24-20(23-18)27-10-3-4-11-27/h5-7,12-13H,1-4,8-11,14H2,(H,28,29)(H,22,23,24,25)
InChIK	XBXPSTUCTUEWIK-UHFFFAOYSA-N
TotalMolweight	411.465
Molweight	411.465
MonoisotopicMass	411.201888
CLogP	3.7933
CLogS	-4.572
H Acceptors	10
H Donors	2
TotalSurfaceArea	317.06
Relative PSA	0.31262
PolarSurfaceArea	116.07
Druglikeness	3.8453
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	9
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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