4-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dihydroxychromen-2-one

Formula:C19H15N4O4FS Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dihydroxychromen-2-one is a drug-like molecule.

MolName	4-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dihydroxychromen-2-one
MolecularFormula	C19H15N4O4FS
Smiles	Nn1c(SCC(c(cc(c(O)c2)O)c2O2)=CC2=O)nnc1Cc(cccc1)c1F
InChI	InChI=1S/C19H15FN4O4S/c20-13-4-2-1-3-10(13)5-17-22-23-19(24(17)21)29-9-11-6-18(27)28-16-8-15(26)14(25)7-12(11)16/h1-4,6-8,25-26H,5,9,21H2
InChIK	CBQWSABZWIYVAB-UHFFFAOYSA-N
TotalMolweight	414.416
Molweight	414.416
MonoisotopicMass	414.079804
CLogP	2.3815
CLogS	-5.631
H Acceptors	8
H Donors	3
TotalSurfaceArea	291.04
Relative PSA	0.38074
PolarSurfaceArea	148.79
Druglikeness	-2.7197
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Aromatic Nitrogens	3
StereoCon

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1 - 4-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dihydroxychromen-2-one | 2 - 4-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dihydroxychromen-2-one

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