Type:
UnknownAlogP:
3.63Polar Surface Area:
29.96HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS
ALA4519029Name:
1-(Naphthalen-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acidMol. Formula:
C14H11N3O2M.W.:
253.26Type:
UnknownAlogP:
2.18Polar Surface Area:
68.01HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA4470159Name:
1-(2-Chlorobenzyl)-1H-1,2,3-triazole-4-carboxylic acidMol. Formula:
C10H8ClN3O2M.W.:
237.65Type:
UnknownAlogP:
1.68Polar Surface Area:
68.01HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS
ALA4441271Name:
1-(4-Chlorobenzyl)-1H-1,2,3-triazole-4-carboxylic acidMol. Formula:
C10H8ClN3O2M.W.:
237.65Type:
UnknownAlogP:
1.68Polar Surface Area:
68.01HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS
2-(4-Methoxyphenyl)thiazole-4-carboxylic acidName:
2-(4-Methoxyphenyl)thiazole-4-carboxylic acidMol. Formula:
C11H9NO3SM.W.:
235.26Type:
Small moleculeAlogP:
2.52Polar Surface Area:
59.42HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.89DETAILS-
Type:
Small moleculeAlogP:
0.18Polar Surface Area:
57.53HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
0.48Polar Surface Area:
57.53HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
0.09Polar Surface Area:
57.53HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
0.05Polar Surface Area:
57.53HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA465103
Name:
(+/-)-decyloxy(naphthalen-1-yl)methylphosphonic acidMol. Formula:
C21H31O4PM.W.:
378.45Type:
Small moleculeAlogP:
6.17Polar Surface Area:
66.76HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA464243
Name:
(+/-)-naphthalen-1-yl(octyloxy)methylphosphonic acidMol. Formula:
C19H27O4PM.W.:
350.40Type:
Small moleculeAlogP:
5.39Polar Surface Area:
66.76HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA468705
Name:
(+/-)-hexyloxy(naphthalen-1-yl)methylphosphonic acidMol. Formula:
C17H23O4PM.W.:
322.34Type:
Small moleculeAlogP:
4.61Polar Surface Area:
66.76HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.55DETAILS
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