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ALA5204945 Name:
(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-(2-carboxybenzoyloxy)-2,4a,6a,6bShow More⌵
Mol. Formula:
C38H50O7
M.W.:
618.81
Type:
---
AlogP:
7.98
Polar Surface Area:
117.97
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5189562 Name:
3-(4-(5-((2S,6R)-2,6-dimethylpiperidin-1-yl)pentyl)-3-oxo-3,4-dihydroquinoxShow More⌵
Mol. Formula:
C27H35N5O2
M.W.:
461.61
Type:
---
AlogP:
4.49
Polar Surface Area:
108.23
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5182433 Name:
3-((1H-imidazol-4-yl)methyl)piperazine-2,5-dione
Mol. Formula:
C8H10N4O2
M.W.:
194.19
Type:
---
AlogP:
-1.43
Polar Surface Area:
86.88
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5092327 Name:
(3S,6S,14S)-6-acetamido-N-((S)-1-(6-((S)-1-acetamido-3-methyl-1-oxobutan-2-Show More⌵
Mol. Formula:
C36H55N11O7S
M.W.:
785.97
Type:
Unknown
AlogP:
0.36
Polar Surface Area:
292.48
HBA:
11
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5091873 Name:
(3S,6S,14S)-6-acetamido-N-((S)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-yShow More⌵
Mol. Formula:
C27H43N9O6S
M.W.:
621.77
Type:
Unknown
AlogP:
-0.72
Polar Surface Area:
237.36
HBA:
9
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA5091578 Name:
(3S,6S,14S)-6-acetamido-3-(3-amino-3-oxopropyl)-N-((S)-1-(benzo[d]thiazol-2Show More⌵
Mol. Formula:
C30H42N10O7S
M.W.:
686.80
Type:
Unknown
AlogP:
-1.34
Polar Surface Area:
280.45
HBA:
10
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5091091 Name:
(3S,6S,14S)-6-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopeShow More⌵
Mol. Formula:
C32H47N9O6S
M.W.:
685.85
Type:
Unknown
AlogP:
0.78
Polar Surface Area:
228.57
HBA:
9
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5088958 Name:
(3S,6S,14S)-6-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopeShow More⌵
Mol. Formula:
C29H41N9O7S
M.W.:
659.77
Type:
Unknown
AlogP:
-1.23
Polar Surface Area:
257.59
HBA:
10
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5086585 Name:
(3S,6S,14S)-6-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopeShow More⌵
Mol. Formula:
C30H43N9O6S2
M.W.:
689.87
Type:
Unknown
AlogP:
0.14
Polar Surface Area:
237.36
HBA:
10
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5084226 Name:
(3S,6S,14S)-6-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopeShow More⌵
Mol. Formula:
C30H43N9O6S
M.W.:
657.80
Type:
Unknown
AlogP:
0.05
Polar Surface Area:
237.36
HBA:
9
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA5083517 Name:
(2S,5S,14S)-14-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopShow More⌵
Mol. Formula:
C32H47N9O6S
M.W.:
685.85
Type:
Unknown
AlogP:
0.83
Polar Surface Area:
237.36
HBA:
9
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA5081851 Name:
(3S,6S,14S)-6-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopeShow More⌵
Mol. Formula:
C34H43N9O7S
M.W.:
721.84
Type:
Unknown
AlogP:
0.34
Polar Surface Area:
257.59
HBA:
10
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5081575 Name:
(2S,5S,14S)-14-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopShow More⌵
Mol. Formula:
C32H48N12O6S
M.W.:
728.88
Type:
Unknown
AlogP:
-0.96
Polar Surface Area:
299.26
HBA:
10
HBD:
11
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5081508 Name:
(3S,6S,14S)-6-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopeShow More⌵
Mol. Formula:
C31H45N9O6S
M.W.:
671.83
Type:
Unknown
AlogP:
0.44
Polar Surface Area:
237.36
HBA:
9
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA5081335 Name:
(3S,6S,15S)-6-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopeShow More⌵
Mol. Formula:
C32H47N9O6S
M.W.:
685.85
Type:
Unknown
AlogP:
0.83
Polar Surface Area:
237.36
HBA:
9
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA5081090 Name:
(6S,14S)-6-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentaShow More⌵
Mol. Formula:
C27H37N9O6S
M.W.:
615.72
Type:
Unknown
AlogP:
-0.98
Polar Surface Area:
237.36
HBA:
9
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA5079098 Name:
(S,E)-4-(2-(3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)acrylamido)-4-oxo-4-thioShow More⌵
Mol. Formula:
C25H24ClN7O5S
M.W.:
570.03
Type:
Unknown
AlogP:
2.12
Polar Surface Area:
159.41
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5078472 Name:
(3S,6S,14S)-6-acetamido-3-(2-amino-2-oxoethyl)-N-((S)-1-(benzo[d]thiazol-2-Show More⌵
Mol. Formula:
C29H40N10O7S
M.W.:
672.77
Type:
Unknown
AlogP:
-1.73
Polar Surface Area:
280.45
HBA:
10
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5077855 Name:
(3S,6S,14S)-6-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopeShow More⌵
Mol. Formula:
C28H39N9O6S
M.W.:
629.74
Type:
Unknown
AlogP:
-0.59
Polar Surface Area:
237.36
HBA:
9
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5075263 Name:
(2S,5S,13S)-13-acetamido-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopShow More⌵
Mol. Formula:
C31H45N9O6S
M.W.:
671.83
Type:
Unknown
AlogP:
0.44
Polar Surface Area:
237.36
HBA:
9
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
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