(5E)-1-(2-fluorophenyl)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C26H17N4O4FS Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-1-(2-fluorophenyl)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.

MolName	(5E)-1-(2-fluorophenyl)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C26H17N4O4FS
Smiles	[O-][N+](c1cccc(Cn2c(cccc3)c3c(/C=C(\C(NC(N3c(cccc4)c4F)=S)=O)/C3=O)c2)c1)=O
InChI	InChI=1S/C26H17FN4O4S/c27-21-9-2-4-11-23(21)30-25(33)20(24(32)28-26(30)36)13-17-15-29(22-10-3-1-8-19(17)22)14-16-6-5-7-18(12-16)31(34)35/h1-13,15H,14H2,(H,28,32,36)
InChIK	GZCZNTUIPPZSDL-UHFFFAOYSA-N
TotalMolweight	500.509
Molweight	500.509
MonoisotopicMass	500.095454
CLogP	3.2248
CLogS	-5.723
H Acceptors	8
H Donors	1
TotalSurfaceArea	361.54
Relative PSA	0.29424
PolarSurfaceArea	132.25
Druglikeness	-1.8709
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro; thio-amide/urea
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - (5E)-1-(2-fluorophenyl)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - (5E)-1-(2-fluorophenyl)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

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