2-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzo[f]isoindole-1,3-dione

Formula:C22H13N3O4 Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzo[f]isoindole-1,3-dione is a drug-like molecule.

MolName	2-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzo[f]isoindole-1,3-dione
MolecularFormula	C22H13N3O4
Smiles	O=C(c1cc2ccccc2c(-c2ccccc2)c1C1=O)N1C(C(N1)=O)=CNC1=O
InChI	InChI=1S/C22H13N3O4/c26-19-16(11-23-22(29)24-19)25-20(27)15-10-13-8-4-5-9-14(13)17(18(15)21(25)28)12-6-2-1-3-7-12/h1-11H,(H2,23,24,26,29)
InChIK	WSSCVEDMNSTNAN-UHFFFAOYSA-N
TotalMolweight	383.362
Molweight	383.362
MonoisotopicMass	383.090607
CLogP	2.662
CLogS	-6.323
H Acceptors	7
H Donors	2
TotalSurfaceArea	269.55
Relative PSA	0.29171
PolarSurfaceArea	95.58
Druglikeness	3.7823
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Symmetricatoms	2
Amides	3
StereoCon

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