Compounds

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ALA4744335
Name:
sodium 4-(4-(4-(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-ylamShow More⌵
Mol. Formula:
C29H16ClN7Na4O14S4
M.W.:
942.16
3 activity values
3 unique targets
Type:
Unknown
AlogP:
3.10
Polar Surface Area:
352.40
HBA:
17
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4295005
Name:
(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)(m-tolyl)methanone
Mol. Formula:
C13H13ClN2O
M.W.:
248.71
12 activity values
12 unique targets
Type:
Small molecule
AlogP:
3.15
Polar Surface Area:
34.89
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4290501
Name:
(3,5-dimethyl-1H-pyrazol-1-yl)(o-tolyl)methanone
Mol. Formula:
C13H14N2O
M.W.:
214.27
12 activity values
12 unique targets
Type:
Small molecule
AlogP:
2.50
Polar Surface Area:
34.89
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.73
DETAILS
CLOSE
ALA4287085
Name:
(4-aminophenyl)(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methanone
Mol. Formula:
C12H12ClN3O
M.W.:
249.70
12 activity values
12 unique targets
Type:
Small molecule
AlogP:
2.42
Polar Surface Area:
60.91
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4286443
Name:
(3,5-Dimethyl-1H-pyrazol-1-yl)(m-tolyl)methanone
Mol. Formula:
C13H14N2O
M.W.:
214.27
12 activity values
12 unique targets
Type:
Small molecule
AlogP:
2.50
Polar Surface Area:
34.89
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.73
DETAILS
CLOSE
ALA4284994
Name:
(3,5-Dimethyl-1H-pyrazol-1-yl)(naphthalen-2-yl)methanone
Mol. Formula:
C16H14N2O
M.W.:
250.30
12 activity values
12 unique targets
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
34.89
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4283075
Name:
(4-Aminophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
Mol. Formula:
C12H13N3O
M.W.:
215.26
13 activity values
13 unique targets
Type:
Small molecule
AlogP:
1.77
Polar Surface Area:
60.91
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA303083
Name:
triPhosphoric acid-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-bicyclo[3.1.0]hex-Show More⌵
Mol. Formula:
C12H18N5O12P3
M.W.:
517.22
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
-1.18
Polar Surface Area:
269.90
HBA:
13
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE