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

Formula:C33H22N4O4S Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-5-[[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.

MolName	(5E)-5-[[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C33H22N4O4S
Smiles	[O-][N+](c(cc1)ccc1-n1c(-c2ccccc2)c(/C=C(\C(NC(N2c3ccccc3)=S)=O)/C2=O)cc1-c1ccccc1)=O
InChI	InChI=1S/C33H22N4O4S/c38-31-28(32(39)36(33(42)34-31)25-14-8-3-9-15-25)20-24-21-29(22-10-4-1-5-11-22)35(30(24)23-12-6-2-7-13-23)26-16-18-27(19-17-26)37(40)41/h1-21H,(H,34,38,42)
InChIK	UHUWJUKAHLACFR-UHFFFAOYSA-N
TotalMolweight	570.628
Molweight	570.628
MonoisotopicMass	570.136176
CLogP	5.2796
CLogS	-10.3
H Acceptors	8
H Donors	1
TotalSurfaceArea	426.35
Relative PSA	0.24951
PolarSurfaceArea	132.25
Druglikeness	-1.2397
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro; thio-amide/urea
Shape Index	0.40476
Fragments	1
Non HAtoms	42
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	2
Symmetricatoms	8
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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

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