7-hydroxy-4-[[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one

Formula:C20H13N2O3F3S3 Mutagenic:none Tumorigenic:none Reproductive Effective:high 7-hydroxy-4-[[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one is a drug-like molecule.

MolName	7-hydroxy-4-[[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one
MolecularFormula	C20H13N2O3F3S3
Smiles	Oc(cc1)cc(O2)c1C(CSc1nnc(SCc3cc(C(F)(F)F)ccc3)s1)=CC2=O
InChI	InChI=1S/C20H13F3N2O3S3/c21-20(22,23)13-3-1-2-11(6-13)9-29-18-24-25-19(31-18)30-10-12-7-17(27)28-16-8-14(26)4-5-15(12)16/h1-8,26H,9-10H2
InChIK	XMBZWVFRXIIGMW-UHFFFAOYSA-N
TotalMolweight	482.526
Molweight	482.526
MonoisotopicMass	482.004037
CLogP	4.7334
CLogS	-6.37
H Acceptors	5
H Donors	1
TotalSurfaceArea	323.51
Relative PSA	0.35059
PolarSurfaceArea	151.15
Druglikeness	-7.6238
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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