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ALA4876857 Name:
cyclohexyl(3,4-dihydroisoquinolin-2(1H)-yl)methano
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Mol. Formula:
C16H21NO
M.W.:
243.35
Type:
Unknown
AlogP:
3.15
Polar Surface Area:
20.31
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4870439 Name:
1-(3-Fluorophenyl)-1,2,3-triazole
Mol. Formula:
C8H6FN3
M.W.:
163.16
Type:
Unknown
AlogP:
1.41
Polar Surface Area:
30.71
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.64
DETAILS
CLOSE
ALA5286131 Name:
(3S)-3-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]am
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Mol. Formula:
C126H192N32O38S3
M.W.:
2859.31
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5285539 Name:
(3S,6S,9S,12S,15S,21S,24S)-3-amino-12,21-bis(2-car
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Mol. Formula:
C40H58N8O17S
M.W.:
955.01
Type:
---
AlogP:
-3.58
Polar Surface Area:
408.38
HBA:
15
HBD:
13
#RO5 Violations:
3
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5283782 Name:
(3S,6S,9S,12S,15S,21S,24S)-3-amino-12,21-bis(2-car
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Mol. Formula:
C37H52N8O17S
M.W.:
912.93
Type:
---
AlogP:
-4.60
Polar Surface Area:
408.38
HBA:
15
HBD:
13
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5290608 Name:
Allyl (3-(benzo[d]thiazol-2-yl)-7-(diethylamino)-2
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Mol. Formula:
C24H23N3O3S
M.W.:
433.53
Type:
---
AlogP:
5.78
Polar Surface Area:
67.93
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5290451 Name:
(4S)-4-amino-5-[[(1S)-2-[[(1S)-2-[[(1S)-1-carboxy-
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Mol. Formula:
C38H39N7O7
M.W.:
705.77
Type:
---
AlogP:
2.89
Polar Surface Area:
235.29
HBA:
6
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA5287949 Name:
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-c
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Mol. Formula:
C16H31N5O6
M.W.:
389.45
Type:
---
AlogP:
-1.90
Polar Surface Area:
210.86
HBA:
7
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4856558 Name:
3,4-Dihydro-2H-benzo[b][1,4,5]oxathiazepine-1,1-di
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Cas Number:
1799973-91-3
Mol. Formula:
C8H9NO3S
M.W.:
199.23
Type:
Unknown
AlogP:
0.36
Polar Surface Area:
55.40
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.66
DETAILS
CLOSE
ALA4791229 Name:
2-(2,4,6-trimethyl-N-o-tolylphenylsulfonamido)acet
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Mol. Formula:
C18H21NO4S
M.W.:
347.44
Type:
Unknown
AlogP:
3.20
Polar Surface Area:
74.68
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA4791221 Name:
(4S)-4-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-
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Mol. Formula:
C56H76N10O17
M.W.:
1161.28
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4790743 Name:
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-meth
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Mol. Formula:
C52H74N10O18
M.W.:
1127.22
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4790573 Name:
N-((4-acetamidophenyl)sulfonyl)-N-(1-(3-methoxyphe
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Mol. Formula:
C24H24N2O5S
M.W.:
452.53
Type:
Unknown
AlogP:
3.98
Polar Surface Area:
87.15
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4790062 Name:
3-[(3S,6S,12S,15S,21S,24S,27S,29S)-6-[[2-[[(2S)-2-
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Mol. Formula:
C66H107FN20O23S
M.W.:
1599.76
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4789691 Name:
N-((2-methoxy-4-methylphenyl)sulfonyl)-2-(4-((4-me
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Mol. Formula:
C41H39F3N4O11S3
M.W.:
916.98
Type:
Unknown
AlogP:
5.35
Polar Surface Area:
194.79
HBA:
12
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4849223 Name:
N-(Naphthalen-1-yl)methanesulfonamide
Cas Number:
53715-52-9
Mol. Formula:
C11H11NO2S
M.W.:
221.28
Type:
Unknown
AlogP:
2.21
Polar Surface Area:
46.17
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.84
DETAILS
CLOSE
ALA4781886 Name:
3-[(3S,6S,12S,15S,21S,24S,27S,29S)-6-[[(2S)-6-amin
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Mol. Formula:
C137H215FN44O35S
M.W.:
3089.56
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4757211 Name:
3-[(3R,5S,11S,17S,20S,25S)-20-(2-Carboxy-ethyl)-3-
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Mol. Formula:
C30H41FN6O14
M.W.:
728.68
Type:
Unknown
AlogP:
-3.73
Polar Surface Area:
306.22
HBA:
11
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4757197 Name:
2-(4-((N-(2-((4-ethoxyphenyl)sulfonamido)-2-oxoeth
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Mol. Formula:
C42H44N4O12S3
M.W.:
893.03
Type:
Unknown
AlogP:
4.73
Polar Surface Area:
204.02
HBA:
13
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4756985 Name:
(4S)-4-[[(2S,4S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S
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Mol. Formula:
C119H186F3N29O27
M.W.:
2511.97
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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