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ALA418852 Name:
3-{3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-i
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Mol. Formula:
C21H22ClN3O4S
M.W.:
447.94
Type:
Small molecule
AlogP:
3.12
Polar Surface Area:
101.29
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA116970 Name:
3-[3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-(
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Mol. Formula:
C24H25ClN2O5S
M.W.:
488.99
Type:
Small molecule
AlogP:
3.53
Polar Surface Area:
116.59
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA116704 Name:
3-{3-Pyridin-3-ylmethyl-5-[2-(toluene-4-sulfonylam
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Mol. Formula:
C24H26N2O4S
M.W.:
438.55
Type:
Small molecule
AlogP:
3.52
Polar Surface Area:
96.36
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA119670 Name:
3-[3-(2-Benzoylamino-ethyl)-5-pyridin-3-ylmethyl-p
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Mol. Formula:
C24H24N2O3
M.W.:
388.47
Type:
Small molecule
AlogP:
3.66
Polar Surface Area:
79.29
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA117561 Name:
3-[3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-(
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Mol. Formula:
C24H23ClN2O4S
M.W.:
470.98
Type:
Small molecule
AlogP:
4.33
Polar Surface Area:
96.36
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA118008 Name:
3-{3-[2-(4-Bromo-benzenesulfonylamino)-ethyl]-5-py
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Mol. Formula:
C23H23BrN2O4S
M.W.:
503.42
Type:
Small molecule
AlogP:
3.97
Polar Surface Area:
96.36
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA324059 Name:
3-{3-[2-(2,2-Dimethyl-propane-1-sulfonylamino)-eth
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Mol. Formula:
C22H30N2O4S
M.W.:
418.56
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
96.36
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA115636 Name:
3-{3-[2-(sulfo-[dimethylamine]-amino)-ethyl]-5-pyr
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Mol. Formula:
C19H25N3O4S
M.W.:
391.49
Type:
Small molecule
AlogP:
1.63
Polar Surface Area:
99.60
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA117224 Name:
3-[3-(2-Cyclohexanesulfonylamino-ethyl)-5-pyridin-
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Mol. Formula:
C23H30N2O4S
M.W.:
430.57
Type:
Small molecule
AlogP:
3.48
Polar Surface Area:
96.36
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA326356 Name:
3-{3-Pyridin-3-ylmethyl-5-[2-(pyrrolidine-1-sulfon
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Mol. Formula:
C21H27N3O4S
M.W.:
417.53
Type:
Small molecule
AlogP:
2.16
Polar Surface Area:
99.60
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA119035 Name:
3-{3-[2-(Piperidine-1-sulfonylamino)-ethyl]-5-pyri
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Mol. Formula:
C22H29N3O4S
M.W.:
431.56
Type:
Small molecule
AlogP:
2.55
Polar Surface Area:
99.60
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA115806 Name:
3-{3-[2-(sulfo-[diethylamine]-amino)-ethyl]-5-pyri
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Mol. Formula:
C21H29N3O4S
M.W.:
419.55
Type:
Small molecule
AlogP:
2.41
Polar Surface Area:
99.60
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA115805 Name:
3-[3-(2-Benzenesulfonyl-ethyl)-5-pyridin-3-ylmethy
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Mol. Formula:
C23H23NO4S
M.W.:
409.51
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
84.33
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA117752 Name:
3-[3-(2-Benzenesulfonylamino-ethyl)-5-imidazol-1-y
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Mol. Formula:
C21H23N3O4S
M.W.:
413.50
Type:
Small molecule
AlogP:
2.47
Polar Surface Area:
101.29
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA117294 Name:
3-(3-{2-[(4-Chloro-benzenesulfonyl)-methyl-amino]-
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Mol. Formula:
C24H25ClN2O4S
M.W.:
472.99
Type:
Small molecule
AlogP:
4.21
Polar Surface Area:
87.57
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA116196 Name:
3-[3-(2-Benzenesulfonylamino-ethyl)-5-pyridin-3-yl
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Mol. Formula:
C23H24N2O4S
M.W.:
424.52
Type:
Small molecule
AlogP:
3.21
Polar Surface Area:
96.36
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA118084 Name:
3-[3-(2-Benzenesulfonylamino-ethyl)-5-(pyridin-3-y
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Mol. Formula:
C22H22N2O5S
M.W.:
426.49
Type:
Small molecule
AlogP:
3.41
Polar Surface Area:
105.59
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA117538 Name:
3-[3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-(
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Mol. Formula:
C22H21ClN2O5S
M.W.:
460.94
Type:
Small molecule
AlogP:
4.07
Polar Surface Area:
105.59
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA113753 Name:
3-{3-[2-(Propane-1-sulfonylamino)-ethyl]-5-pyridin
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Mol. Formula:
C20H26N2O4S
M.W.:
390.51
Type:
Small molecule
AlogP:
2.56
Polar Surface Area:
96.36
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA115387 Name:
3-{3-[2-(4-Fluoro-benzenesulfonylamino)-ethyl]-5-p
Show More⌵
Mol. Formula:
C23H23FN2O4S
M.W.:
442.51
Type:
Small molecule
AlogP:
3.35
Polar Surface Area:
96.36
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
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