2-chloro-4-[5-[(E)-(1-naphthalen-2-yl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid

Formula:C26H15N2O5ClS Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-chloro-4-[5-[(E)-(1-naphthalen-2-yl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid is not a drug-like molecule.

MolName	2-chloro-4-[5-[(E)-(1-naphthalen-2-yl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid
MolecularFormula	C26H15N2O5ClS
Smiles	OC(c(ccc(-c1ccc(/C=C(\C(NC(N2c3cc4ccccc4cc3)=S)=O)/C2=O)o1)c1)c1Cl)=O
InChI	InChI=1S/C26H15ClN2O5S/c27-21-12-16(6-9-19(21)25(32)33)22-10-8-18(34-22)13-20-23(30)28-26(35)29(24(20)31)17-7-5-14-3-1-2-4-15(14)11-17/h1-13H,(H,32,33)(H,28,30,35)
InChIK	QCYPXGCEWPQWCQ-UHFFFAOYSA-N
TotalMolweight	502.933
Molweight	502.933
MonoisotopicMass	502.03902
CLogP	4.7403
CLogS	-7.786
H Acceptors	7
H Donors	2
TotalSurfaceArea	357.77
Relative PSA	0.30562
PolarSurfaceArea	131.94
Druglikeness	4.5715
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-chloro-4-[5-[(E)-(1-naphthalen-2-yl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid | 2 - 2-chloro-4-[5-[(E)-(1-naphthalen-2-yl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid

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