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ALA4513934 Name:
(R)-Ganocapenoid D
Mol. Formula:
C16H18O5
M.W.:
290.31
Type:
Unknown
AlogP:
2.34
Polar Surface Area:
86.99
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4474490 Name:
(R)-Ganocapenoid A
Mol. Formula:
C21H26O6
M.W.:
374.43
Type:
Unknown
AlogP:
3.04
Polar Surface Area:
107.22
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4522037 Name:
3-Phenylpropyl 2,3-dihydroxybenzoate
Mol. Formula:
C16H16O4
M.W.:
272.30
Type:
Unknown
AlogP:
2.89
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4520893 Name:
(E)-4-(Dec-1-en-1-yl)benzyl 2,3-dihydroxybenzoate
Mol. Formula:
C24H30O4
M.W.:
382.50
Type:
Unknown
AlogP:
6.22
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4557711 Name:
Fusaripeptide A
Mol. Formula:
C46H75N7O11
M.W.:
902.14
Type:
Unknown
AlogP:
2.45
Polar Surface Area:
284.45
HBA:
11
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4527129 Name:
Ganocapenoid B
Mol. Formula:
C16H16O4
M.W.:
272.30
Type:
Unknown
AlogP:
3.12
Polar Surface Area:
66.76
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4548589 Name:
10-Phenyldecyl 2,3-dihydroxybenzoate
Mol. Formula:
C23H30O4
M.W.:
370.49
Type:
Unknown
AlogP:
5.62
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4745636 Name:
(3aS,9aS)-2-methoxy-2-methyl-3,3a,5,7,8,9-hexahydr
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Mol. Formula:
C12H18O3
M.W.:
210.27
Type:
Unknown
AlogP:
2.02
Polar Surface Area:
27.69
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.62
DETAILS
CLOSE
ALA4745627 Name:
(E)-4-(3-(3-(4-fluorophenyl)acryloyl)-2-oxoimidazo
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Mol. Formula:
C20H14FN3O3
M.W.:
363.35
Type:
Unknown
AlogP:
2.82
Polar Surface Area:
81.48
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4745390 Name:
4-(2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrox
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Mol. Formula:
C25H26O8
M.W.:
454.48
Type:
Unknown
AlogP:
1.42
Polar Surface Area:
125.68
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4745340 Name:
(S)-5-amino-2-((2S,3S)-2-((S)-2-((S)-2-amino-3-met
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Mol. Formula:
C21H39N5O6
M.W.:
457.57
Type:
Unknown
AlogP:
-0.52
Polar Surface Area:
193.71
HBA:
6
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4745276 Name:
NA
Mol. Formula:
C24H29FO6
M.W.:
432.49
Type:
Unknown
AlogP:
2.86
Polar Surface Area:
85.22
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4745219 Name:
4-(2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrox
Show More⌵
Mol. Formula:
C24H30O8
M.W.:
446.50
Type:
Unknown
AlogP:
1.22
Polar Surface Area:
125.68
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4744720 Name:
7beta,11alpha-dihydroxyl-3,20-dioxo-30-norlupane-2
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Mol. Formula:
C29H44O6
M.W.:
488.67
Type:
Unknown
AlogP:
4.25
Polar Surface Area:
111.90
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4744019 Name:
4-(2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrox
Show More⌵
Mol. Formula:
C22H23F3O8
M.W.:
472.41
Type:
Unknown
AlogP:
1.28
Polar Surface Area:
125.68
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4743682 Name:
(E)-1-(3-(4-fluorophenyl)acryloyl)-3-(thiophene-2-
Show More⌵
Mol. Formula:
C17H13FN2O3S
M.W.:
344.37
Type:
Unknown
AlogP:
3.01
Polar Surface Area:
57.69
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4743678 Name:
(S)-2-((2S,3S)-2-((S)-2-((S)-2-amino-3-methylbutan
Show More⌵
Mol. Formula:
C20H38N4O5
M.W.:
414.55
Type:
Unknown
AlogP:
0.62
Polar Surface Area:
150.62
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4743633 Name:
(S)-2-((2S,3S)-2-(2-((S)-1-((S)-2-amino-3-methylbu
Show More⌵
Mol. Formula:
C20H36N4O5
M.W.:
412.53
Type:
Unknown
AlogP:
0.47
Polar Surface Area:
141.83
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4743392 Name:
(E)-1-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-3-piv
Show More⌵
Mol. Formula:
C18H20N2O5
M.W.:
344.37
Type:
Unknown
AlogP:
2.27
Polar Surface Area:
76.15
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4743378 Name:
((2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(4-hydroxyphe
Show More⌵
Mol. Formula:
C16H22O8
M.W.:
342.34
Type:
Unknown
AlogP:
-0.68
Polar Surface Area:
125.68
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
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