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ALA4879356 Name:
3-Methyl-N-(2-((2-oxo-2-(((S)-1-phenylethyl)amino)
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Mol. Formula:
C30H33N3O3S2
M.W.:
547.75
Type:
Unknown
AlogP:
7.39
Polar Surface Area:
80.32
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4878780 Name:
3-methyl-N-(2-(2-oxo-2-((S)-1-phenylethylamino)eth
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Mol. Formula:
C30H33N3O3S2
M.W.:
547.75
Type:
Unknown
AlogP:
7.39
Polar Surface Area:
80.32
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4878746 Name:
2,3-Difluoro-N-(2-((2-oxo-2-(((S)-1-phenylethyl)am
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Mol. Formula:
C29H29F2N3O3S2
M.W.:
569.70
Type:
Unknown
AlogP:
7.36
Polar Surface Area:
80.32
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4878402 Name:
(S)-2-methoxy-N-(2-((2-((1-(4-methoxyphenyl)ethyl)
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Mol. Formula:
C33H38N4O6S2
M.W.:
650.82
Type:
Unknown
AlogP:
5.55
Polar Surface Area:
111.25
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4877798 Name:
3-Chloro-N-(2-((2-oxo-2-(((S)-1-phenylethyl)amino)
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Mol. Formula:
C29H30ClN3O3S2
M.W.:
568.16
Type:
Unknown
AlogP:
7.74
Polar Surface Area:
80.32
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4876597 Name:
2-Methoxy-N-(2-((2-(((S)-1-(3-methoxyphenyl)ethyl)
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Mol. Formula:
C32H37N3O5S2
M.W.:
607.80
Type:
Unknown
AlogP:
7.41
Polar Surface Area:
98.78
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4876198 Name:
3-Ethyl-N-(2-((2-oxo-2-(((S)-1-phenylethyl)amino)e
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Mol. Formula:
C31H35N3O3S2
M.W.:
561.77
Type:
Unknown
AlogP:
7.65
Polar Surface Area:
80.32
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4873424 Name:
2,3-Dimethyl-N-(2-((2-oxo-2-(((S)-1-phenylethyl)am
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Mol. Formula:
C31H35N3O3S2
M.W.:
561.77
Type:
Unknown
AlogP:
7.70
Polar Surface Area:
80.32
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4872578 Name:
3-Bromo-N-(2-((2-oxo-2-(((S)-1-phenylethyl)amino)e
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Mol. Formula:
C29H30BrN3O3S2
M.W.:
612.62
Type:
Unknown
AlogP:
7.85
Polar Surface Area:
80.32
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4870080 Name:
(S)-2,4-dimethoxy-N-(2-(2-(1-(4-methoxyphenyl)ethy
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Mol. Formula:
C28H29N3O6S
M.W.:
535.62
Type:
Unknown
AlogP:
5.14
Polar Surface Area:
108.01
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4870012 Name:
N-(2-((2-(((S)-1-(2-hydroxyphenyl)ethyl)amino)-2-o
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Mol. Formula:
C31H35N3O5S2
M.W.:
593.77
Type:
Unknown
AlogP:
7.11
Polar Surface Area:
109.78
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4869871 Name:
3-methyl-N-(2-(2-oxo-2-((S)-1-phenylethylamino)eth
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Mol. Formula:
C30H33N3O3S2
M.W.:
547.75
Type:
Unknown
AlogP:
7.39
Polar Surface Area:
80.32
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4869347 Name:
3-Cyano-N-(2-((2-oxo-2-(((S)-1-phenylethyl)amino)e
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Mol. Formula:
C30H30N4O3S2
M.W.:
558.73
Type:
Unknown
AlogP:
6.96
Polar Surface Area:
104.11
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4868479 Name:
5-(2-((R)-2-((S)-1-((S)-1-((S)-2-((S)-5-amino-1-((
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Mol. Formula:
C57H65N9O16
M.W.:
1132.19
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5284089 Name:
4-((2-(piperazin-1-yl)phenyl)amino)-2a1,5a-dihydro
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Mol. Formula:
C20H20N4O3S
M.W.:
396.47
Type:
---
AlogP:
1.45
Polar Surface Area:
90.87
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA5282950 Name:
2-((4-methyl-6-morpholinoquinazolin-2-yl)amino)qui
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Mol. Formula:
C21H20N6O2
M.W.:
388.43
Type:
---
AlogP:
2.75
Polar Surface Area:
96.03
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5280162 Name:
(S)-2-((S)-2-((S)-2-aminopropanamido)-3-(4-(phosph
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Mol. Formula:
C18H28N3O8P
M.W.:
445.41
Type:
---
AlogP:
0.15
Polar Surface Area:
188.28
HBA:
6
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5280147 Name:
2,3,4,5,6-pentafluoro-N-(4-hydroxy-3-(phenylthio)n
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Mol. Formula:
C22H12F5NO3S2
M.W.:
497.47
Type:
---
AlogP:
6.19
Polar Surface Area:
66.40
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5279594 Name:
4-(N-([1,1'-biphenyl]-4-ylmethyl)-2-(N,4-dimethylp
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Mol. Formula:
C30H28N2O6S
M.W.:
544.63
Type:
---
AlogP:
4.92
Polar Surface Area:
115.22
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5279368 Name:
(3R,5S,E)-7-(3,4-dimethoxyphenyl)-1-(3,4,5-trimeth
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Mol. Formula:
C24H32O7
M.W.:
432.51
Type:
---
AlogP:
3.49
Polar Surface Area:
86.61
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
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