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ALA4476665 Name:
4'-aminoxanilic acid
Cas Number:
103-92-4
Mol. Formula:
C8H8N2O3
M.W.:
180.16
Type:
Unknown
AlogP:
0.29
Polar Surface Area:
92.42
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5279562 Name:
((((1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tet
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Mol. Formula:
C46H48F8N4Na4O16P4
M.W.:
1280.74
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5278919 Name:
((4-(2-(1H-benzo[d][1,2,3]triazol-1-yl)-2-(4-(3-me
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Mol. Formula:
C33H28F2N5O4P
M.W.:
627.59
Type:
---
AlogP:
7.11
Polar Surface Area:
127.16
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4094898 Name:
(1E,1'E)-diethyl-2,2'-((((2-((4-([1,1'-biphenyl]-4
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Mol. Formula:
C47H43NO10S2
M.W.:
845.99
Type:
Small molecule
AlogP:
10.23
Polar Surface Area:
143.53
HBA:
10
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4102541 Name:
(1E,1'E)-diethyl-2,2'-((((2-((4-(4-ethylphenoxy)ph
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Mol. Formula:
C43H43NO10S2
M.W.:
797.95
Type:
Small molecule
AlogP:
9.13
Polar Surface Area:
143.53
HBA:
10
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4473098 Name:
Oxepinamide H
Mol. Formula:
C20H19N3O4
M.W.:
365.39
Type:
Unknown
AlogP:
1.90
Polar Surface Area:
82.45
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA4066472 Name:
(1E,1'E)-diethyl-2,2'-((((2-((4-(4-bromo-2-chlorop
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Mol. Formula:
C41H37BrClNO10S2
M.W.:
883.24
Type:
Small molecule
AlogP:
9.98
Polar Surface Area:
143.53
HBA:
10
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA3982169 Name:
US9217012, 4
Mol. Formula:
C20H29F2N4O7P
M.W.:
506.44
Type:
Small molecule
AlogP:
0.24
Polar Surface Area:
187.92
HBA:
5
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA3818452 Name:
[(4-{[(S)-1-{(S)-1-Carbamoyl-2-[4-(difluoro-phosph
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Mol. Formula:
C28H29F4N3O10P2
M.W.:
705.49
Type:
Small molecule
AlogP:
2.33
Polar Surface Area:
236.58
HBA:
6
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5093253 Name:
4-[[8-fluoro-3,6-dihydroxy-7-(1,1,4-trioxo-1,2,5-t
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Mol. Formula:
C18H18FN3O6S
M.W.:
423.42
Type:
Unknown
AlogP:
1.89
Polar Surface Area:
139.96
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5092308 Name:
5-[7-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-fluoro-
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Mol. Formula:
C19H17FN4O4S
M.W.:
416.43
Type:
Unknown
AlogP:
2.14
Polar Surface Area:
104.53
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5089047 Name:
5-[1-fluoro-3-hydroxy-6-(3-hydroxy-3-methylbutoxy)
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Mol. Formula:
C17H19FN2O6S
M.W.:
398.41
Type:
Unknown
AlogP:
1.41
Polar Surface Area:
116.17
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA5087544 Name:
5-[1-fluoro-3-hydroxy-7-(tetrahydropyran-3-ylmetho
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Mol. Formula:
C18H19FN2O6S
M.W.:
410.42
Type:
Unknown
AlogP:
1.67
Polar Surface Area:
105.17
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA5085615 Name:
5-[1-fluoro-3-hydroxy-7-[(3S)-3-hydroxybutoxy]-2-n
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Mol. Formula:
C16H17FN2O6S
M.W.:
384.39
Type:
Unknown
AlogP:
1.02
Polar Surface Area:
116.17
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5085502 Name:
4-[[8-fluoro-6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiad
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Mol. Formula:
C18H18FN3O5S
M.W.:
407.42
Type:
Unknown
AlogP:
2.18
Polar Surface Area:
119.73
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5084380 Name:
5-[7-(1-ethylsulfonyl-2,5-dihydropyrrol-3-yl)-1-fl
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Mol. Formula:
C18H18FN3O6S2
M.W.:
455.49
Type:
Unknown
AlogP:
0.91
Polar Surface Area:
124.09
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5084112 Name:
5-[7-[2-(azetidin-1-yl)ethylamino]-1-fluoro-3-hydr
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Mol. Formula:
C17H19FN4O4S
M.W.:
394.43
Type:
Unknown
AlogP:
0.98
Polar Surface Area:
101.98
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA5080612 Name:
5-[1-fluoro-3-hydroxy-7-(1-isopentylsulfonyl-2,5-d
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Mol. Formula:
C21H24FN3O6S2
M.W.:
497.57
Type:
Unknown
AlogP:
1.94
Polar Surface Area:
124.09
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5076419 Name:
5-[7-(2-cyclopropylethylamino)-1-fluoro-3-hydroxy-
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Mol. Formula:
C17H18FN3O4S
M.W.:
379.41
Type:
Unknown
AlogP:
2.08
Polar Surface Area:
98.74
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5075269 Name:
5-[7-[2-(2,2-difluorocyclopropyl)ethoxy]-1-fluoro-
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Mol. Formula:
C17H15F3N2O5S
M.W.:
416.38
Type:
Unknown
AlogP:
2.29
Polar Surface Area:
95.94
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
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