Compounds

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ALA5219995
Name:
SID522181
Mol. Formula:
M.W.:

Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4299160
Name:
SID581301
Mol. Formula:
C22H46Cl2O4Si
M.W.:
473.60
51 activity values
51 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4299159
Name:
SID496000
Mol. Formula:
C21H23ClO6Si
M.W.:
434.95
50 activity values
50 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4299153
Name:
SID492826
Mol. Formula:
C18H14ClN3O2S
M.W.:
371.85
58 activity values
58 unique targets
Type:
Small molecule
AlogP:
1.11
Polar Surface Area:
64.97
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4299152
Name:
SID492827
Mol. Formula:
C18H14ClN3O3S
M.W.:
387.85
56 activity values
56 unique targets
Type:
Small molecule
AlogP:
0.43
Polar Surface Area:
85.20
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4299072
Name:
SID500435
Mol. Formula:
M.W.:

Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4299069
Name:
SID488819
Mol. Formula:
M.W.:

Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4299066
Name:
SID496065
Mol. Formula:
C16H27Cl3N4O4Si
M.W.:
473.86
53 activity values
53 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4299065
Name:
SID581513
Mol. Formula:
C14H31Cl2NO4Te
M.W.:
475.91
60 activity values
60 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4100617
Name:
7-Aza-5,6-dihydro-6-[3-(isopropylamino)propyl]-9-methoxy-3-nitro-5,11-dioxoShow More⌵
Mol. Formula:
C22H22N4O5
M.W.:
422.44
13 activity values
11 unique targets
Type:
Small molecule
AlogP:
2.91
Polar Surface Area:
116.36
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4097105
Name:
7-Aza-5,6-dihydro-6-[3-((4,5-dihydrothiazol-2-yl)amino)-propyl]-9-methoxy-3Show More⌵
Mol. Formula:
C22H19N5O5S
M.W.:
465.49
16 activity values
11 unique targets
Type:
Small molecule
AlogP:
2.61
Polar Surface Area:
128.72
HBA:
10
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4080584
Name:
7-Aza-5,6-dihydro-9-methoxy-6-[3-((2-morpholinoethyl)-amino)propyl]-3-nitroShow More⌵
Mol. Formula:
C25H27N5O6
M.W.:
493.52
11 activity values
9 unique targets
Type:
Small molecule
AlogP:
1.84
Polar Surface Area:
128.83
HBA:
10
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA3736392
Name:
6-(6-Fluoro-1H-indol-2-yl)-7-hydroxy-4,8-dimethyl-2Hchromen-2-one
Mol. Formula:
C19H14FNO3
M.W.:
323.32
242 activity values
28 unique targets
Type:
Small molecule
AlogP:
4.40
Polar Surface Area:
66.23
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3409063
Name:
(Z)-3-(Benzofuran-3-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile
Mol. Formula:
C20H17NO4
M.W.:
335.36
61 activity values
49 unique targets
Type:
Small molecule
AlogP:
4.52
Polar Surface Area:
64.62
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA3409062
Name:
(Z)-3-(5-Methoxy-1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile
Mol. Formula:
C21H20N2O4
M.W.:
364.40
61 activity values
49 unique targets
Type:
Small molecule
AlogP:
4.27
Polar Surface Area:
76.50
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA3409061
Name:
(Z)-2-(3,5-Dimethoxyphenyl)-3-(1H-indol-3-yl)acrylonitrile
Mol. Formula:
C19H16N2O2
M.W.:
304.35
61 activity values
49 unique targets
Type:
Small molecule
AlogP:
4.25
Polar Surface Area:
58.04
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3409060
Name:
(Z)-2-(3,4-Dimethoxyphenyl)-3-(1H-indol-3-yl)acrylonitrile
Mol. Formula:
C19H16N2O2
M.W.:
304.35
61 activity values
49 unique targets
Type:
Small molecule
AlogP:
4.25
Polar Surface Area:
58.04
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3409059
Name:
(Z)-3-(1H-Indol-3-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile
Mol. Formula:
C20H18N2O3
M.W.:
334.38
61 activity values
49 unique targets
Type:
Small molecule
AlogP:
4.26
Polar Surface Area:
67.27
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA3409058
Name:
(Z)-3-(Benzo[d]thiazol-2-yl)-2-(3,5-dimethoxyphenyl)-acrylonitrile
Mol. Formula:
C18H14N2O2S
M.W.:
322.39
61 activity values
49 unique targets
Type:
Small molecule
AlogP:
4.38
Polar Surface Area:
55.14
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA3392226
Name:
SID502424
Mol. Formula:
C36H28F12P2S3
M.W.:
846.75
59 activity values
59 unique targets
Type:
Small molecule
AlogP:
10.03
Polar Surface Area:
0.00
HBA:
1
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE