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ALA4647070 Name:
N-(2-ethyl-6-methyl-phenyl)-4-(pyrrolidine-1-carbonyl)pyridine-3-sulfonamidShow More⌵
Mol. Formula:
C19H23N3O3S
M.W.:
373.48
Type:
Unknown
AlogP:
2.99
Polar Surface Area:
79.37
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4638490 Name:
6-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]pyrazine-2-carbShow More⌵
Mol. Formula:
C18H21FN4O2
M.W.:
344.39
Type:
Unknown
AlogP:
1.54
Polar Surface Area:
92.34
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4635203 Name:
N-(3,5-dimethoxyphenyl)-3-[1-[(4-fluoro-3-methoxy-phenyl)methyl]-3-piperidyShow More⌵
Mol. Formula:
C24H31FN2O4
M.W.:
430.52
Type:
Unknown
AlogP:
4.48
Polar Surface Area:
60.03
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA2374001 Name:
SID46501272
Mol. Formula:
C25H41NO7
M.W.:
467.60
Type:
Small molecule
AlogP:
0.27
Polar Surface Area:
100.85
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA2362966 Name:
SID99454084
Mol. Formula:
C18H14FNO3S
M.W.:
343.38
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
70.42
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA2362959 Name:
SID124754111
Mol. Formula:
C23H22N2O4
M.W.:
390.44
Type:
Small molecule
AlogP:
4.00
Polar Surface Area:
71.78
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA2362948 Name:
SID22410381
Mol. Formula:
C21H23N3O4S
M.W.:
413.50
Type:
Small molecule
AlogP:
3.15
Polar Surface Area:
87.74
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA2362930 Name:
SID124754496
Mol. Formula:
C13H18N2O3S2
M.W.:
314.43
Type:
Small molecule
AlogP:
1.30
Polar Surface Area:
58.64
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA2362922 Name:
SID103159533
Mol. Formula:
C16H17NO3S
M.W.:
303.38
Type:
Small molecule
AlogP:
3.23
Polar Surface Area:
57.61
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.93
DETAILS
CLOSE
ALA2362898 Name:
SID99494573
Mol. Formula:
C22H24N2O5S
M.W.:
428.51
Type:
Small molecule
AlogP:
2.22
Polar Surface Area:
92.78
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA2362893 Name:
SID103050547
Mol. Formula:
C22H31N7O2
M.W.:
425.54
Type:
Small molecule
AlogP:
1.23
Polar Surface Area:
91.57
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA2362852 Name:
SID24269559
Mol. Formula:
C36H33N5O3
M.W.:
583.69
Type:
Small molecule
AlogP:
4.53
Polar Surface Area:
100.13
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA2362835 Name:
SID125306521
Mol. Formula:
C19H17N3O2
M.W.:
319.36
Type:
Small molecule
AlogP:
2.09
Polar Surface Area:
64.41
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA2362801 Name:
SID103076233
Mol. Formula:
C17H15ClFNO3
M.W.:
335.76
Type:
Small molecule
AlogP:
2.88
Polar Surface Area:
55.40
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA2362739 Name:
SID103075516
Mol. Formula:
C18H25N3O2S
M.W.:
347.48
Type:
Small molecule
AlogP:
3.17
Polar Surface Area:
73.20
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA2362707 Name:
SID99361120
Mol. Formula:
C17H19N3O7
M.W.:
377.35
Type:
Small molecule
AlogP:
3.02
Polar Surface Area:
144.80
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA2362674 Name:
SID124755680
Mol. Formula:
C20H25NO5
M.W.:
359.42
Type:
Small molecule
AlogP:
3.04
Polar Surface Area:
72.14
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA2362616 Name:
SID103163199
Mol. Formula:
C19H24ClNO3
M.W.:
349.86
Type:
Small molecule
AlogP:
3.87
Polar Surface Area:
57.61
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA2362605 Name:
SID99495380
Mol. Formula:
C22H26N2O4S
M.W.:
414.53
Type:
Small molecule
AlogP:
3.14
Polar Surface Area:
83.55
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA2362600 Name:
SID124754494
Mol. Formula:
C13H18N2O3S2
M.W.:
314.43
Type:
Small molecule
AlogP:
1.30
Polar Surface Area:
58.64
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
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