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ALA4590131 Name:
2-(((1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)benzenethiol
Mol. Formula:
C16H14FN3OS
M.W.:
315.37
Type:
Unknown
AlogP:
3.41
Polar Surface Area:
39.94
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4589173 Name:
2-(((1-(4-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)benShow More⌵
Mol. Formula:
C17H14F3N3OS
M.W.:
365.38
Type:
Unknown
AlogP:
4.29
Polar Surface Area:
39.94
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4561063 Name:
2-(((1-(2,4-difluorophenyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)benzenethiShow More⌵
Mol. Formula:
C16H13F2N3OS
M.W.:
333.36
Type:
Unknown
AlogP:
3.55
Polar Surface Area:
39.94
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4472000 Name:
2-(((1-(2-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)benShow More⌵
Mol. Formula:
C17H14F3N3OS
M.W.:
365.38
Type:
Unknown
AlogP:
4.29
Polar Surface Area:
39.94
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4471191 Name:
2-(((1-(2,4,6-trichlorophenyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)benzeneShow More⌵
Mol. Formula:
C16H12Cl3N3OS
M.W.:
400.72
Type:
Unknown
AlogP:
5.23
Polar Surface Area:
39.94
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA7075 Name:
1-(4-Nitro-phenyl)-3-(2,2,4,4-tetramethyl-thiochroman-6-yl)-thiourea
Mol. Formula:
C20H23N3O2S2
M.W.:
401.56
Type:
Small molecule
AlogP:
5.96
Polar Surface Area:
67.20
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA7074 Name:
1-(2-Methyl-4-nitro-phenyl)-3-(2,2,4,4-tetramethyl-thiochroman-6-yl)-thiourShow More⌵
Mol. Formula:
C21H25N3O2S2
M.W.:
415.58
Type:
Small molecule
AlogP:
6.48
Polar Surface Area:
67.53
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA6825 Name:
4-[3-(2,2,4,4,7-Pentamethyl-thiochroman-6-yl)-thioureido]-benzoic acid ethyShow More⌵
Mol. Formula:
C24H30N2O2S2
M.W.:
442.65
Type:
Small molecule
AlogP:
6.75
Polar Surface Area:
50.69
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA6524 Name:
4-[3-(2,2,4,4-Tetramethyl-thiochroman-6-yl)-thioureido]-benzenesulfonamide
Mol. Formula:
C20H25N3O2S3
M.W.:
435.64
Type:
Small molecule
AlogP:
4.92
Polar Surface Area:
84.55
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA6499 Name:
4-[3-(2,2,4,4,7-Pentamethyl-thiochroman-6-yl)-thioureido]-benzenesulfonamidShow More⌵
Mol. Formula:
C21H27N3O2S3
M.W.:
449.67
Type:
Small molecule
AlogP:
5.22
Polar Surface Area:
84.55
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA6500 Name:
4-[3-(2,2,4,4,7-Pentamethyl-thiochroman-6-yl)-ureido]-benzoic acid ethyl esShow More⌵
Mol. Formula:
C24H30N2O3S
M.W.:
426.58
Type:
Small molecule
AlogP:
6.37
Polar Surface Area:
67.43
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
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