4-[[5-(cyclopropylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-hydroxychromen-2-one

Formula:C16H14N2O3S3 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[[5-(cyclopropylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-hydroxychromen-2-one is a drug-like molecule.

MolName	4-[[5-(cyclopropylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-hydroxychromen-2-one
MolecularFormula	C16H14N2O3S3
Smiles	Oc(cc1)cc(O2)c1C(CSc1nnc(SCC3CC3)s1)=CC2=O
InChI	InChI=1S/C16H14N2O3S3/c19-11-3-4-12-10(5-14(20)21-13(12)6-11)8-23-16-18-17-15(24-16)22-7-9-1-2-9/h3-6,9,19H,1-2,7-8H2
InChIK	MZLOGXGZIBCOMH-UHFFFAOYSA-N
TotalMolweight	378.496
Molweight	378.496
MonoisotopicMass	378.016653
CLogP	3.216
CLogS	-4.759
H Acceptors	5
H Donors	1
TotalSurfaceArea	260.81
Relative PSA	0.43488
PolarSurfaceArea	151.15
Druglikeness	0.26971
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	1
Aromatic Nitrogens	2
StereoCon

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