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ALA450047 Name:
cassumunin B
Mol. Formula:
C34H36O9
M.W.:
588.65
Type:
Small molecule
AlogP:
6.21
Polar Surface Area:
120.75
HBA:
9
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA473041 Name:
cassumunin A
Mol. Formula:
C33H34O8
M.W.:
558.63
Type:
Small molecule
AlogP:
6.20
Polar Surface Area:
111.52
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA224229 Name:
(1R,3R,7S,8E,11S,12S,13E,17R,21R,23S)-11,21-dihydr
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Mol. Formula:
C40H64O13
M.W.:
752.94
Type:
Small molecule
AlogP:
5.10
Polar Surface Area:
176.51
HBA:
13
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA224190 Name:
(1R,3R,7S,8E,11S,12S,13E,17R,21R,23S)-11,21-dihydr
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Mol. Formula:
C41H66O13
M.W.:
766.97
Type:
Small molecule
AlogP:
5.76
Polar Surface Area:
165.51
HBA:
13
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA223661 Name:
byrostatin 1
Mol. Formula:
C47H68O16
M.W.:
889.05
Type:
Small molecule
AlogP:
4.55
Polar Surface Area:
230.88
HBA:
16
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
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