Type:
UnknownAlogP:
5.20Polar Surface Area:
101.65HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.32DETAILS
Type:
UnknownAlogP:
3.29Polar Surface Area:
91.01HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA4852872Name:
N-(4-(methylsulfonyl)phenylsulfonyl)-3-(methylsulfonylmethyl)benzamideMol. Formula:
C16H17NO7S3M.W.:
431.51Type:
UnknownAlogP:
0.75Polar Surface Area:
131.52HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.71DETAILS
Type:
UnknownAlogP:
6.34Polar Surface Area:
95.86HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.20DETAILS
ALA4799564Name:
3-[1-(4-methoxyphenyl)triazol-4-yl]propyl 4-iodobenzenesulfonateMol. Formula:
C18H18IN3O4SM.W.:
499.33Type:
UnknownAlogP:
3.22Polar Surface Area:
83.31HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.27DETAILS- ALA4797869
Name:
3-[1-(p-tolyl)triazol-4-yl]propyl 4-methylbenzenesulfonateMol. Formula:
C19H21N3O3SM.W.:
371.46Type:
UnknownAlogP:
3.22Polar Surface Area:
74.08HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA4796775
Name:
3-[1-(4-cyanophenyl)triazol-4-yl]propyl 4-methylbenzenesulfonateMol. Formula:
C19H18N4O3SM.W.:
382.44Type:
UnknownAlogP:
2.79Polar Surface Area:
97.87HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4792499
Name:
3-[1-(3-cyanophenyl)triazol-4-yl]propyl 4-methylbenzenesulfonateMol. Formula:
C19H18N4O3SM.W.:
382.44Type:
UnknownAlogP:
2.79Polar Surface Area:
97.87HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4791069
Name:
3-[1-(2-methoxyphenyl)triazol-4-yl]propyl 4-methylbenzenesulfonateMol. Formula:
C19H21N3O4SM.W.:
387.46Type:
UnknownAlogP:
2.92Polar Surface Area:
83.31HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
UnknownAlogP:
3.93Polar Surface Area:
74.08HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA4790883
Name:
3-[1-(2-cyanophenyl)triazol-4-yl]propyl 4-methylbenzenesulfonateMol. Formula:
C19H18N4O3SM.W.:
382.44Type:
UnknownAlogP:
2.79Polar Surface Area:
97.87HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4790103
Name:
3-[1-(4-methoxyphenyl)triazol-4-yl]propyl 4-phenylbenzenesulfonateMol. Formula:
C24H23N3O4SM.W.:
449.53Type:
UnknownAlogP:
4.28Polar Surface Area:
83.31HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA4789644
Name:
3-[1-(4-methoxyphenyl)triazol-4-yl]propyl 4-methylbenzenesulfonateMol. Formula:
C19H21N3O4SM.W.:
387.46Type:
UnknownAlogP:
2.92Polar Surface Area:
83.31HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA4788805
Name:
3-[1-(m-tolyl)triazol-4-yl]propyl 4-methylbenzenesulfonateMol. Formula:
C19H21N3O3SM.W.:
371.46Type:
UnknownAlogP:
3.22Polar Surface Area:
74.08HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
UnknownAlogP:
3.93Polar Surface Area:
74.08HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA4785542
Name:
3-[1-(o-tolyl)triazol-4-yl]propyl 4-methylbenzenesulfonateMol. Formula:
C19H21N3O3SM.W.:
371.46Type:
UnknownAlogP:
3.22Polar Surface Area:
74.08HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA4781777
Name:
3-[1-(3-cyanophenyl)triazol-4-yl]propyl 4-iodobenzenesulfonateMol. Formula:
C18H15IN4O3SM.W.:
494.31Type:
UnknownAlogP:
3.08Polar Surface Area:
97.87HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA4780268
Name:
3-[1-(3-methoxyphenyl)triazol-4-yl]propyl 4-methylbenzenesulfonateMol. Formula:
C19H21N3O4SM.W.:
387.46Type:
UnknownAlogP:
2.92Polar Surface Area:
83.31HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA4779120
Name:
3-[1-(2-ethylphenyl)triazol-4-yl]propyl 4-methylbenzenesulfonateMol. Formula:
C20H23N3O3SM.W.:
385.49Type:
UnknownAlogP:
3.48Polar Surface Area:
74.08HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA4764121
Name:
3-[1-(4-pyridyl)triazol-4-yl]propyl 4-methylbenzenesulfonateMol. Formula:
C17H18N4O3SM.W.:
358.42Type:
UnknownAlogP:
2.31Polar Surface Area:
86.97HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.48DETAILS
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