(1E)-1-[[[5,5-dioxo-7-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]dibenzothiophen-3-yl]amino]methylidene]naphthalen-2-one

Formula:C34H22N2O4S Mutagenic:high Tumorigenic:high Reproductive Effective:none (1E)-1-[[[5,5-dioxo-7-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]dibenzothiophen-3-yl]amino]methylidene]naphthalen-2-one is not a drug-like molecule.

MolName	(1E)-1-[[[5,5-dioxo-7-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]dibenzothiophen-3-yl]amino]methylidene]naphthalen-2-one
MolecularFormula	C34H22N2O4S
Smiles	O=C(C=Cc1c2cccc1)/C2=C/Nc(cc1)cc2c1-c(ccc(N/C=C(\c(cccc1)c1C=C1)/C1=O)c1)c1S2(=O)=O
InChI	InChI=1S/C34H22N2O4S/c37-31-15-9-21-5-1-3-7-25(21)29(31)19-35-23-11-13-27-28-14-12-24(18-34(28)41(39,40)33(27)17-23)36-20-30-26-8-4-2-6-22(26)10-16-32(30)38/h1-20,35-36H
InChIK	RVRQYPWAEGWURX-UHFFFAOYSA-N
TotalMolweight	554.625
Molweight	554.625
MonoisotopicMass	554.130028
CLogP	4.257
CLogS	-8.526
H Acceptors	6
H Donors	2
TotalSurfaceArea	401.46
Relative PSA	0.19324
PolarSurfaceArea	100.72
Druglikeness	0.59893
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.5122
Fragments	1
Non HAtoms	41
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	7
Small Rings	7
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	1
Symmetricatoms	20
StereoCon

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1 - (1E)-1-[[[5,5-dioxo-7-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]dibenzothiophen-3-yl]amino]methylidene]naphthalen-2-one | 2 - (1E)-1-[[[5,5-dioxo-7-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]dibenzothiophen-3-yl]amino]methylidene]naphthalen-2-one

Request More Details | (1E)-1-[[[5,5-dioxo-7-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]dibenzothiophen-3-yl]amino]methylidene]naphthalen-2-one

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