(5Z)-1-(2-fluorophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C22H13N4O5FS Mutagenic:high Tumorigenic:none Reproductive Effective:high (5Z)-1-(2-fluorophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	(5Z)-1-(2-fluorophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C22H13N4O5FS
Smiles	[O-][N+](c(cc1)cnc1Oc1ccc(/C=C(/C(NC(N2c(cccc3)c3F)=S)=O)\C2=O)cc1)=O
InChI	InChI=1S/C22H13FN4O5S/c23-17-3-1-2-4-18(17)26-21(29)16(20(28)25-22(26)33)11-13-5-8-15(9-6-13)32-19-10-7-14(12-24-19)27(30)31/h1-12H,(H,25,28,33)
InChIK	AWZQBMVVDXAQRL-UHFFFAOYSA-N
TotalMolweight	464.432
Molweight	464.432
MonoisotopicMass	464.059069
CLogP	2.4412
CLogS	-6.772
H Acceptors	9
H Donors	1
TotalSurfaceArea	332.74
Relative PSA	0.36208
PolarSurfaceArea	149.44
Druglikeness	-2.785
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro; thio-amide/urea
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - (5Z)-1-(2-fluorophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - (5Z)-1-(2-fluorophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

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