Compounds

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ALA1467585
Name:
(R)-1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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Cas Number:
81702-42-3

Mol. Formula:
C16H18ClNO2
M.W.:
291.78

36 activity values

25 unique targets
Type:
Small molecule
AlogP:
2.38
Polar Surface Area:
52.49
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.69
DETAILS
CLOSE
ALA541633
Name:
6-Phenylsulfanyl-2,3,4,5-tetrahydro-1H-benzo[d]aze
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Mol. Formula:
C16H18BrNO2S
M.W.:
368.30

4 activity values

2 unique targets
Type:
Small molecule
AlogP:
2.94
Polar Surface Area:
52.49
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA552736
Name:
3-Methyl-6-phenylsulfanyl-2,3,4,5-tetrahydro-1H-be
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Mol. Formula:
C17H20BrNO2S
M.W.:
382.32

4 activity values

2 unique targets
Type:
Small molecule
AlogP:
3.28
Polar Surface Area:
43.70
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA369006
Name:
6-Chloro-3-methyl-9-phenylsulfanyl-2,3,4,5-tetrahy
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Mol. Formula:
C17H18ClNO2S
M.W.:
335.86

4 activity values

2 unique targets
Type:
Small molecule
AlogP:
3.93
Polar Surface Area:
43.70
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA433839
Name:
2-Chloro-4-(1,2,3,4-tetrahydro-isoquinolin-4-yl)-p
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Mol. Formula:
C15H14ClNO
M.W.:
259.74

3 activity values

1 unique targets
Type:
Small molecule
AlogP:
3.28
Polar Surface Area:
32.26
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA439932
Name:
2-Chloro-5-(2-methyl-1,2,3,4-tetrahydro-isoquinoli
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Mol. Formula:
C16H16ClNO
M.W.:
273.76

4 activity values

1 unique targets
Type:
Small molecule
AlogP:
3.62
Polar Surface Area:
23.47
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA57334
Name:
2-Chloro-5-(1,2,3,4-tetrahydro-isoquinolin-4-yl)-p
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Mol. Formula:
C15H14ClNO
M.W.:
259.74

3 activity values

1 unique targets
Type:
Small molecule
AlogP:
3.28
Polar Surface Area:
32.26
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA440261
Name:
Thr-Phe-Thr-Ser-Asp-Tyr-Ser-Lys-Tyr-Leu-Asp-Ser-NH
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Mol. Formula:
C64H92N14O23
M.W.:
1425.52

4 activity values

2 unique targets
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE