(5E)-1-(3-chlorophenyl)-5-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C33H21N3O2Cl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-1-(3-chlorophenyl)-5-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.

MolName	(5E)-1-(3-chlorophenyl)-5-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C33H21N3O2Cl2S
Smiles	O=C(/C(/C(N1c2cccc(Cl)c2)=O)=C\c(cc2-c3ccccc3)c(-c3ccccc3)n2-c(cc2)ccc2Cl)NC1=S
InChI	InChI=1S/C33H21Cl2N3O2S/c34-24-14-16-26(17-15-24)37-29(21-8-3-1-4-9-21)19-23(30(37)22-10-5-2-6-11-22)18-28-31(39)36-33(41)38(32(28)40)27-13-7-12-25(35)20-27/h1-20H,(H,36,39,41)
InChIK	YKWSHLPFCPRKHO-UHFFFAOYSA-N
TotalMolweight	594.521
Molweight	594.521
MonoisotopicMass	593.073151
CLogP	7.4132
CLogS	-11.312
H Acceptors	5
H Donors	1
TotalSurfaceArea	433.52
Relative PSA	0.17522
PolarSurfaceArea	86.43
Druglikeness	3.8576
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.39024
Fragments	1
Non HAtoms	41
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	1
Symmetricatoms	6
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - (5E)-1-(3-chlorophenyl)-5-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - (5E)-1-(3-chlorophenyl)-5-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

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