Compounds

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ALA5201189
Name:
3-(1H-pyrazol-5-yl)aniline

Cas Number:
89260-46-8

Mol. Formula:
C9H9N3
M.W.:
159.19

1 activity values

1 unique targets
Type:
---
AlogP:
1.66
Polar Surface Area:
54.70
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.62
DETAILS
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ALA5090029
Name:
Ethyl 1-(4-aminobutyl)-3-(3,4-dichlorophenyl)-1H-p
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Mol. Formula:
C16H19Cl2N3O2
M.W.:
356.25

26 activity values

3 unique targets
Type:
Unknown
AlogP:
3.77
Polar Surface Area:
70.14
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
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ALA5089646
Name:
4-(4-(Benzylcarbamoyl)-3-(3,4-dichlorophenyl)-1H-p
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Mol. Formula:
C21H19Cl2N3O3
M.W.:
432.31

2 activity values

2 unique targets
Type:
Unknown
AlogP:
4.65
Polar Surface Area:
84.22
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5082195
Name:
3-(3-(3,4-Dichlorophenyl)-4-(phenethylcarbamoyl)-1
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Mol. Formula:
C21H19Cl2N3O3
M.W.:
432.31

2 activity values

2 unique targets
Type:
Unknown
AlogP:
4.30
Polar Surface Area:
84.22
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE