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ALA5287023 Name:
4-((7-chloro-3-phenoxyquinolin-4-yl)amino)-2-((die
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Mol. Formula:
C26H26ClN3O2
M.W.:
447.97
Type:
---
AlogP:
6.97
Polar Surface Area:
57.62
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5281963 Name:
4-((7-chloroquinolin-4-yl)amino)-2-((hexylamino)me
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Mol. Formula:
C22H26ClN3O
M.W.:
383.92
Type:
---
AlogP:
6.01
Polar Surface Area:
57.18
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5281554 Name:
4-((7-iodoquinolin-4-yl)amino)-2-((methyl(octyl)am
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Mol. Formula:
C25H32IN3O
M.W.:
517.46
Type:
---
AlogP:
7.08
Polar Surface Area:
48.39
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5290974 Name:
dimethyl (1S,2S,4S,5S)-4-(2-aminoethoxy)-5-(((2S,3
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Mol. Formula:
C18H31NO11
M.W.:
437.44
Type:
---
AlogP:
-3.11
Polar Surface Area:
187.23
HBA:
12
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4789633 Name:
diethyl 3-((2-((1-((2-(3-(trifluoromethoxy)phenyl)
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Mol. Formula:
C39H43F3N3O5P
M.W.:
721.76
Type:
Unknown
AlogP:
9.93
Polar Surface Area:
85.91
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4781632 Name:
Diethyl({4-[2-({1-[(2-phenyl-1H-1,3-benzodiazol-6-
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Mol. Formula:
C37H42N3O5P
M.W.:
639.73
Type:
Unknown
AlogP:
8.62
Polar Surface Area:
85.91
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4550796 Name:
N,N'-Bis[3-(diethylamino)propyl]-1,5-naphthyridine
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Mol. Formula:
C22H38N6
M.W.:
386.59
Type:
Unknown
AlogP:
3.92
Polar Surface Area:
56.32
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4764870 Name:
diethyl 3-((2-((1-((2-(4-(trifluoromethyl)phenyl)-
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Mol. Formula:
C39H43F3N3O4P
M.W.:
705.76
Type:
Unknown
AlogP:
10.05
Polar Surface Area:
76.68
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA5275329 Name:
2-((diethylamino)methyl)-4-((7-iodoquinolin-4-yl)a
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Mol. Formula:
C20H22IN3O
M.W.:
447.32
Type:
---
AlogP:
5.13
Polar Surface Area:
48.39
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5205032 Name:
Remdesivir; Veklury
Mol. Formula:
C26H33N6O8P
M.W.:
588.56
Type:
---
AlogP:
2.06
Polar Surface Area:
203.55
HBA:
13
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5200782 Name:
(3R,5R)-N-(4-aminocyclohexyl)-3-methyl-5-phenyl-ad
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Mol. Formula:
C24H34N2O
M.W.:
366.55
Type:
---
AlogP:
4.30
Polar Surface Area:
55.12
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA5199121 Name:
(4aR,6aS,6bR,8aR,12aR,12bR,14bS)-N-ethynyl-2,2,6a,
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Mol. Formula:
C37H53N3O3
M.W.:
587.85
Type:
---
AlogP:
7.92
Polar Surface Area:
79.17
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA5197749 Name:
N'-(2-((5-chloro-2-nitrophenyl)thio)phenyl)-2-(pyr
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Mol. Formula:
C18H19ClN4O3S
M.W.:
406.90
Type:
---
AlogP:
3.94
Polar Surface Area:
87.51
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5193528 Name:
2-((5-((3-(dimethylamino)phenoxy)methyl)-4-phenyl-
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Mol. Formula:
C27H29N5O3S
M.W.:
503.63
Type:
---
AlogP:
5.04
Polar Surface Area:
81.51
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5183759 Name:
(2R,3S,4S,5R,6R)-2-(acetoxymethyl)-6-((4aR,6aS,6bR
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Mol. Formula:
C45H65NO11
M.W.:
796.01
Type:
---
AlogP:
6.72
Polar Surface Area:
160.60
HBA:
11
HBD:
1
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5176722 Name:
2-phenyl-4-(1,2,2,2-tetrafluoroethyl)-3H-benzo[b][
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Mol. Formula:
C17H12F4N2
M.W.:
320.29
Type:
---
AlogP:
5.18
Polar Surface Area:
24.72
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5172194 Name:
2-((2-(1-benzylpiperidin-4-yl)ethyl)amino)-N-(9H-c
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Mol. Formula:
C28H32N4O
M.W.:
440.59
Type:
---
AlogP:
4.76
Polar Surface Area:
49.30
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5171151 Name:
N'-(2-((5-chloro-2-nitrophenyl)thio)phenyl)-2-(die
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Mol. Formula:
C18H21ClN4O3S
M.W.:
408.91
Type:
---
AlogP:
4.18
Polar Surface Area:
87.51
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5169358 Name:
N-([1,1'-biphenyl]-2-yl)-2-((4-methoxy-N-(p-tolyl)
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Mol. Formula:
C28H26N2O4S
M.W.:
486.59
Type:
---
AlogP:
5.50
Polar Surface Area:
75.71
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4752401 Name:
diethyl 4-((2-(1-((2-(4-(trifluoromethoxy)phenyl)-
Show More⌵
Mol. Formula:
C38H41F3N3O6P
M.W.:
723.73
Type:
Unknown
AlogP:
9.52
Polar Surface Area:
95.14
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
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