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ALA5284325 Name:
Batatoside O
Mol. Formula:
C71H114O25
M.W.:
1367.67
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5282239 Name:
Mol. Formula:
C16H20O6
M.W.:
308.33
Type:
---
AlogP:
-0.08
Polar Surface Area:
88.66
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5281014 Name:
Mol. Formula:
C15H20O5
M.W.:
280.32
Type:
---
AlogP:
0.54
Polar Surface Area:
76.13
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5289062 Name:
Mol. Formula:
C17H25NO5
M.W.:
323.39
Type:
---
AlogP:
0.08
Polar Surface Area:
79.37
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5271310 Name:
Batatoside L
Mol. Formula:
C66H106O22
M.W.:
1251.55
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5269866 Name:
Mol. Formula:
C15H18O5
M.W.:
278.30
Type:
---
AlogP:
0.60
Polar Surface Area:
76.13
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5267884 Name:
Mol. Formula:
C15H20O5
M.W.:
280.32
Type:
---
AlogP:
0.68
Polar Surface Area:
76.13
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5209518 Name:
Oxalierpene B
Mol. Formula:
C37H45NO6
M.W.:
599.77
Type:
---
AlogP:
5.74
Polar Surface Area:
101.01
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5195803 Name:
Oxalierpene A
Mol. Formula:
C37H43NO5
M.W.:
581.75
Type:
---
AlogP:
6.53
Polar Surface Area:
88.62
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5178486 Name:
tert-Butyl N-[(2S)-1-[(2S,4S)-4-cyclohexyl-2-{[1-(
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Mol. Formula:
C38H56N3O7P
M.W.:
697.85
Type:
---
AlogP:
8.17
Polar Surface Area:
123.27
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4090210 Name:
N-(4-(2-(4-methyl-1H-benzo[d]imidazol-2-yl)-5,6-di
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Mol. Formula:
C40H36N6O3S
M.W.:
680.83
Type:
Small molecule
AlogP:
7.73
Polar Surface Area:
103.45
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4089498 Name:
N-(4-(2-(1H-benzo[d]imidazol-2-yl)-5,6-dihydro-4H-
Show More⌵
Mol. Formula:
C42H40N6O3S
M.W.:
708.89
Type:
Small molecule
AlogP:
8.55
Polar Surface Area:
103.45
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4088910 Name:
N-(4-(2-(1H-benzo[d]imidazol-2-yl)-5,6-dihydro-4H-
Show More⌵
Mol. Formula:
C40H36N6O4S
M.W.:
696.83
Type:
Small molecule
AlogP:
7.43
Polar Surface Area:
112.68
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4088505 Name:
N-(4-(2-(5-chloro-1H-benzo[d]imidazol-2-yl)-5,6-di
Show More⌵
Mol. Formula:
C39H33ClN6O3S
M.W.:
701.25
Type:
Small molecule
AlogP:
8.08
Polar Surface Area:
103.45
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4087673 Name:
N-(4-(2-(4-fluoro-1H-benzo[d]imidazol-2-yl)-5,6-di
Show More⌵
Mol. Formula:
C39H33FN6O3S
M.W.:
684.80
Type:
Small molecule
AlogP:
7.56
Polar Surface Area:
103.45
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4634392 Name:
3-[(4-bromophenyl)methoxy]-5-isobutyl-imidazolidin
Show More⌵
Mol. Formula:
C14H17BrN2O3
M.W.:
341.21
Type:
Unknown
AlogP:
2.85
Polar Surface Area:
58.64
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4633768 Name:
3-[(3-chlorophenyl)methoxy]-5-isobutyl-imidazolidi
Show More⌵
Mol. Formula:
C14H17ClN2O3
M.W.:
296.75
Type:
Unknown
AlogP:
2.74
Polar Surface Area:
58.64
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4632826 Name:
3-[(3-chlorophenyl)methoxy]-5-isopropyl-imidazolid
Show More⌵
Mol. Formula:
C13H15ClN2O3
M.W.:
282.73
Type:
Unknown
AlogP:
2.35
Polar Surface Area:
58.64
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4083646 Name:
5-methyl-N-(4-(2-(pyrazolo[1,5-a]pyridin-2-yl)-5,6
Show More⌵
Mol. Formula:
C40H36N6O3S
M.W.:
680.83
Type:
Small molecule
AlogP:
7.51
Polar Surface Area:
92.07
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4068301 Name:
2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-N-(4-(2-(4-(tr
Show More⌵
Mol. Formula:
C40H33F3N6O3S
M.W.:
734.80
Type:
Small molecule
AlogP:
8.44
Polar Surface Area:
103.45
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
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