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ALA5279222 Name:
Oridonin
Mol. Formula:
C20H28O5
M.W.:
348.44
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Type:
---
AlogP:
1.40
Polar Surface Area:
86.99
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4594140 Name:
(4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More⌵
Mol. Formula:
C34H53NO9
M.W.:
619.80
Type:
Unknown
AlogP:
4.90
Polar Surface Area:
137.46
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4593947 Name:
5-(((4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methShow More⌵
Mol. Formula:
C32H46F6N2O11
M.W.:
748.71
Type:
Unknown
AlogP:
1.88
Polar Surface Area:
151.17
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4590337 Name:
(4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More⌵
Mol. Formula:
C38H53NO9
M.W.:
667.84
Type:
Unknown
AlogP:
5.34
Polar Surface Area:
137.46
HBA:
9
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4590174 Name:
(4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More⌵
Mol. Formula:
C39H62N2O11
M.W.:
734.93
Type:
Unknown
AlogP:
5.40
Polar Surface Area:
175.79
HBA:
11
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4586258 Name:
(4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More⌵
Mol. Formula:
C32H49NO9
M.W.:
591.74
Type:
Unknown
AlogP:
4.07
Polar Surface Area:
128.67
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4586174 Name:
3-((((4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-metShow More⌵
Mol. Formula:
C31H44F3NO9
M.W.:
631.69
Type:
Unknown
AlogP:
2.81
Polar Surface Area:
111.16
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4584533 Name:
1-(((4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methShow More⌵
Mol. Formula:
C30H44F3NO9
M.W.:
619.67
Type:
Unknown
AlogP:
2.94
Polar Surface Area:
125.15
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4580455 Name:
(4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More⌵
Mol. Formula:
C36H49NO9
M.W.:
639.79
Type:
Unknown
AlogP:
5.08
Polar Surface Area:
137.46
HBA:
9
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4580421 Name:
1-(((4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methShow More⌵
Mol. Formula:
C28H40F3NO9
M.W.:
591.62
Type:
Unknown
AlogP:
2.16
Polar Surface Area:
125.15
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4573421 Name:
(4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More⌵
Mol. Formula:
C33H51NO9S
M.W.:
637.84
Type:
Unknown
AlogP:
4.46
Polar Surface Area:
137.46
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4570307 Name:
(4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More⌵
Mol. Formula:
C32H49NO9
M.W.:
591.74
Type:
Unknown
AlogP:
4.12
Polar Surface Area:
137.46
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4567191 Name:
6-(((4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methShow More⌵
Mol. Formula:
C31H46F3NO9
M.W.:
633.70
Type:
Unknown
AlogP:
3.33
Polar Surface Area:
125.15
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4566837 Name:
(4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More⌵
Mol. Formula:
C38H60N2O11
M.W.:
720.90
Type:
Unknown
AlogP:
5.01
Polar Surface Area:
175.79
HBA:
11
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4564662 Name:
1-(((4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methShow More⌵
Mol. Formula:
C30H44F3NO9S
M.W.:
651.74
Type:
Unknown
AlogP:
2.90
Polar Surface Area:
125.15
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4564145 Name:
2-((4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoShow More⌵
Mol. Formula:
C34H51NO9
M.W.:
617.78
Type:
Unknown
AlogP:
4.60
Polar Surface Area:
128.67
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4561729 Name:
(4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More⌵
Mol. Formula:
C33H51NO9
M.W.:
605.77
Type:
Unknown
AlogP:
4.36
Polar Surface Area:
137.46
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4555385 Name:
6-(((4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methShow More⌵
Mol. Formula:
C33H48F6N2O11
M.W.:
762.74
Type:
Unknown
AlogP:
2.27
Polar Surface Area:
151.17
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4540143 Name:
1-(((4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methShow More⌵
Mol. Formula:
C30H44F3NO9
M.W.:
619.67
Type:
Unknown
AlogP:
2.80
Polar Surface Area:
125.15
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4534793 Name:
(4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More⌵
Mol. Formula:
C30H45NO9
M.W.:
563.69
Type:
Unknown
AlogP:
3.34
Polar Surface Area:
137.46
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
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