(5E)-1-(furan-2-ylmethyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

Formula:C21H15N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(furan-2-ylmethyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(furan-2-ylmethyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C21H15N3O4
Smiles	C#CCn1c(cccc2)c2c(/C=C(\C(NC(N2Cc3ccco3)=O)=O)/C2=O)c1
InChI	InChI=1S/C21H15N3O4/c1-2-9-23-12-14(16-7-3-4-8-18(16)23)11-17-19(25)22-21(27)24(20(17)26)13-15-6-5-10-28-15/h1,3-8,10-12H,9,13H2,(H,22,25,27)
InChIK	UASUFCZNHSMXPJ-UHFFFAOYSA-N
TotalMolweight	373.367
Molweight	373.367
MonoisotopicMass	373.106257
CLogP	1.3161
CLogS	-3.564
H Acceptors	7
H Donors	1
TotalSurfaceArea	284.06
Relative PSA	0.26442
PolarSurfaceArea	84.55
Druglikeness	5.5479
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
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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