5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C23H14N2O3Br2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.

MolName	5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C23H14N2O3Br2S
Smiles	Oc(c(C=C(C(N(c1ccccc1)C(N1c2ccccc2)=S)=O)C1=O)cc(Br)c1)c1Br
InChI	InChI=1S/C23H14Br2N2O3S/c24-15-11-14(20(28)19(25)13-15)12-18-21(29)26(16-7-3-1-4-8-16)23(31)27(22(18)30)17-9-5-2-6-10-17/h1-13,28H
InChIK	HPEZEPDGBZRJHF-UHFFFAOYSA-N
TotalMolweight	558.249
Molweight	558.249
MonoisotopicMass	555.909185
CLogP	5.3687
CLogS	-6.826
H Acceptors	5
H Donors	1
TotalSurfaceArea	336.41
Relative PSA	0.2208
PolarSurfaceArea	92.94
Druglikeness	0.91701
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.3871
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	11
Amides	2
StereoCon

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