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ALA5285399 Name:
Detalosylkrasilnikolide A
Mol. Formula:
C30H48O5
M.W.:
488.71
Type:
---
AlogP:
5.68
Polar Surface Area:
86.99
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5284934 Name:
Krasilnikolide B
Mol. Formula:
C37H60O9
M.W.:
648.88
Type:
---
AlogP:
4.92
Polar Surface Area:
145.91
HBA:
9
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4637751 Name:
Bulbimidazole A
Mol. Formula:
C14H24N2O
M.W.:
236.36
Type:
Unknown
AlogP:
3.98
Polar Surface Area:
45.75
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4637091 Name:
Bulbimidazole B
Mol. Formula:
C13H22N2O
M.W.:
222.33
Type:
Unknown
AlogP:
3.73
Polar Surface Area:
45.75
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4636496 Name:
Bulbimidazole C
Mol. Formula:
C13H22N2O
M.W.:
222.33
Type:
Unknown
AlogP:
3.59
Polar Surface Area:
45.75
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5277450 Name:
Krasilnikolide A
Mol. Formula:
C36H58O9
M.W.:
634.85
Type:
---
AlogP:
4.53
Polar Surface Area:
145.91
HBA:
9
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5199613 Name:
Marinobactoic Acid
Mol. Formula:
C16H18O2
M.W.:
242.32
Type:
---
AlogP:
3.85
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA5190551 Name:
Marinoquinolone B
Mol. Formula:
C24H23NO
M.W.:
341.45
Type:
---
AlogP:
5.46
Polar Surface Area:
32.86
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5190319 Name:
Sattahipmycin
Mol. Formula:
C26H19NO8
M.W.:
473.44
Type:
---
AlogP:
3.48
Polar Surface Area:
153.22
HBA:
8
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5170227 Name:
rac-Marinoquinolone A
Mol. Formula:
C24H23NO2
M.W.:
357.45
Type:
---
AlogP:
4.73
Polar Surface Area:
53.09
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA2419237 Name:
2,2,2-Trifluoroethyl-7-(4-methylbenzoyl)-4a,5,6,7-
Show More⌵
Mol. Formula:
C18H17F3N2O3
M.W.:
366.34
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
58.97
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA2408682 Name:
(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-((
Show More⌵
Mol. Formula:
C33H52N2O
M.W.:
492.79
Type:
Small molecule
AlogP:
7.84
Polar Surface Area:
41.99
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA2408679 Name:
(3R,5R,8R,9S,10S,13R,14S,17R)-3-(2-(1H-imidazol-1-
Show More⌵
Mol. Formula:
C32H53N3O
M.W.:
495.80
Type:
Small molecule
AlogP:
7.14
Polar Surface Area:
46.92
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA1081404 Name:
2-hydroxy fissinolid
Mol. Formula:
C29H38O8
M.W.:
514.62
Type:
Small molecule
AlogP:
4.52
Polar Surface Area:
112.27
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA1075769 Name:
2-Hydroxy-3-O-isobutyrylproceranolide
Mol. Formula:
C31H40O9
M.W.:
556.65
Type:
Small molecule
AlogP:
4.48
Polar Surface Area:
129.34
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
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