Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
0.22Polar Surface Area:
97.99HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.49DETAILS
ALA2074737Name:
3-Methoxy-4-hydroxymandelic acidCas Number:
41093-71-4Mol. Formula:
C9H10O5M.W.:
198.17Type:
Small moleculeAlogP:
0.52Polar Surface Area:
86.99HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS
Type:
Small moleculeAlogP:
0.04Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.59DETAILS
ALA1231562Name:
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidCas Number:
86879-39-2Mol. Formula:
C12H16O5M.W.:
240.25Type:
Small moleculeAlogP:
2.26Polar Surface Area:
87.74HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.80DETAILS
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