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ALA4555080 Name:
6-{1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl}-N
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Mol. Formula:
C22H21N3O5S
M.W.:
439.49
Type:
Unknown
AlogP:
3.28
Polar Surface Area:
116.67
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4529344 Name:
3-{[(8-Hydroxyquinolin-5-yl)methyl]amino}-N-phenyl
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Mol. Formula:
C19H19N3O2
M.W.:
321.38
Type:
Unknown
AlogP:
3.06
Polar Surface Area:
74.25
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4526272 Name:
3-{[(5-Chloro-8-hydroxyquinolin-7-yl)methyl]amino}
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Mol. Formula:
C24H25ClN4O2
M.W.:
436.94
Type:
Unknown
AlogP:
4.22
Polar Surface Area:
90.04
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4762293 Name:
N-(4-fluorophenyl)-4-(4-oxo-1,4,5,6,7,8-hexahydroq
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Mol. Formula:
C18H20FN3O2S
M.W.:
361.44
Type:
Unknown
AlogP:
3.30
Polar Surface Area:
74.85
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4756867 Name:
rac-(R*,R*)-2-Amino-3-hydroxy-1-(4-[(4-([4-(hydrox
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Mol. Formula:
C26H32N2O5S
M.W.:
484.62
Type:
Unknown
AlogP:
1.09
Polar Surface Area:
120.93
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4580239 Name:
5-{[(8-Hydroxyquinolin-5-yl)methyl]amino}-N-phenyl
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Mol. Formula:
C21H23N3O2
M.W.:
349.43
Type:
Unknown
AlogP:
3.84
Polar Surface Area:
74.25
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5281827 Name:
1-((N-benzyl-4-methoxyphenyl)sulfonamido)-5-(tert-
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Mol. Formula:
C29H30N2O5S
M.W.:
518.64
Type:
---
AlogP:
5.66
Polar Surface Area:
95.94
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5278767 Name:
N-hydroxy-4-(1-((4-methoxyphenyl)sulfonyl)-2,2-dim
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Mol. Formula:
C24H24F3N3O5S
M.W.:
523.53
Type:
---
AlogP:
4.48
Polar Surface Area:
99.18
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5278204 Name:
N-hydroxy-2-((4-methoxy-N-methylphenyl)sulfonamido
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Mol. Formula:
C21H27N3O6S
M.W.:
449.53
Type:
---
AlogP:
1.78
Polar Surface Area:
108.41
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5278145 Name:
(R)-(1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3
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Mol. Formula:
C22H22F3N3O8S
M.W.:
545.49
Type:
---
AlogP:
3.09
Polar Surface Area:
153.55
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4854379 Name:
2-(2-mercaptocyclopentylthio)-4-methyl-N-(1-(methy
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Mol. Formula:
C21H32N2O2S2
M.W.:
408.63
Type:
Unknown
AlogP:
3.46
Polar Surface Area:
58.20
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5285908 Name:
(S)-2-decyl-N4-hydroxy-N1-((S)-2-(methylamino)-2-o
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Mol. Formula:
C23H37N3O4
M.W.:
419.57
Type:
---
AlogP:
3.63
Polar Surface Area:
107.53
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5285851 Name:
(2R,3S)-2-(cyclopentylmethyl)-3-hydroxy-4-(hydroxy
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Mol. Formula:
C20H34N4O5
M.W.:
410.52
Type:
---
AlogP:
2.46
Polar Surface Area:
137.58
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4868252 Name:
N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(5-phenyl-1,3
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Mol. Formula:
C18H15N3O4S
M.W.:
369.40
Type:
Unknown
AlogP:
2.87
Polar Surface Area:
86.48
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5289570 Name:
3-(2-(benzylthio)ethyl)-N-hydroxy-1-((4-methoxyphe
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Mol. Formula:
C23H30N2O5S2
M.W.:
478.64
Type:
---
AlogP:
3.54
Polar Surface Area:
95.94
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5287905 Name:
(2S)-3-methyl-2-[[5-[2-(p-tolyl)ethynyl]-2-thienyl
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Mol. Formula:
C18H19NO4S2
M.W.:
377.49
Type:
---
AlogP:
2.84
Polar Surface Area:
83.47
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4088630 Name:
N-hydroxy-4-(4-methoxyphenylsulfonyl)-2,2-dimethyl
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Mol. Formula:
C14H20N2O5S2
M.W.:
360.46
Type:
Small molecule
AlogP:
1.09
Polar Surface Area:
95.94
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4081278 Name:
(9S,12S,15S,18S)-12-((1H-imidazol-4-yl)methyl)-3-(
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Mol. Formula:
C49H67N13O13S
M.W.:
1078.22
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4747965 Name:
2-Amino-2-[(4-([3-((2-[(1S)-1-hydroxyethyl]-1H-imi
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Mol. Formula:
C21H24N4O5
M.W.:
412.45
Type:
Unknown
AlogP:
0.43
Polar Surface Area:
139.79
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4646589 Name:
NA
Mol. Formula:
C47H58N14O8
M.W.:
947.07
Type:
Unknown
AlogP:
-0.62
Polar Surface Area:
321.54
HBA:
13
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
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