1,3-dioxo-N'-(pyridine-4-carbonyl)-2-[4-[(pyridine-4-carbonylamino)carbamoyl]phenyl]isoindole-5-carbohydrazide

Formula:C28H19N7O6 Mutagenic:none Tumorigenic:high Reproductive Effective:high 1,3-dioxo-N'-(pyridine-4-carbonyl)-2-[4-[(pyridine-4-carbonylamino)carbamoyl]phenyl]isoindole-5-carbohydrazide is not a drug-like molecule.

MolName	1,3-dioxo-N'-(pyridine-4-carbonyl)-2-[4-[(pyridine-4-carbonylamino)carbamoyl]phenyl]isoindole-5-carbohydrazide
MolecularFormula	C28H19N7O6
Smiles	O=C(c(cc1)ccc1N(C(c(cc1)c2cc1C(NNC(c1ccncc1)=O)=O)=O)C2=O)NNC(c1ccncc1)=O
InChI	InChI=1S/C28H19N7O6/c36-23(31-32-24(37)17-7-11-29-12-8-17)16-1-4-20(5-2-16)35-27(40)21-6-3-19(15-22(21)28(35)41)26(39)34-33-25(38)18-9-13-30-14-10-18/h1-15H,(H,31,36)(H,32,37)(H,33,38)(H,34,39)
InChIK	ANYXRZIZGKNXHO-UHFFFAOYSA-N
TotalMolweight	549.502
Molweight	549.502
MonoisotopicMass	549.139683
CLogP	0.403
CLogS	-5.268
H Acceptors	13
H Donors	4
TotalSurfaceArea	399.2
Relative PSA	0.37467
PolarSurfaceArea	179.56
Druglikeness	2.9525
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.60976
Fragments	1
Non HAtoms	41
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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