2-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetonitrile

Formula:C20H14N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetonitrile is a drug-like molecule.

MolName	2-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetonitrile
MolecularFormula	C20H14N4O4
Smiles	N#CCn1c(cccc2)c2c(/C=C(\C(NC(N2Cc3ccco3)=O)=O)/C2=O)c1
InChI	InChI=1S/C20H14N4O4/c21-7-8-23-11-13(15-5-1-2-6-17(15)23)10-16-18(25)22-20(27)24(19(16)26)12-14-4-3-9-28-14/h1-6,9-11H,8,12H2,(H,22,25,27)
InChIK	ZPERQHUIILTXKH-UHFFFAOYSA-N
TotalMolweight	374.355
Molweight	374.355
MonoisotopicMass	374.101506
CLogP	0.9408
CLogS	-3.388
H Acceptors	8
H Donors	1
TotalSurfaceArea	281.96
Relative PSA	0.31448
PolarSurfaceArea	108.34
Druglikeness	1.2168
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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