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ALA4535269 Name:
NA
Mol. Formula:
C23H33NO7
M.W.:
435.52
Type:
Unknown
AlogP:
0.27
Polar Surface Area:
139.31
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4533749 Name:
NA
Mol. Formula:
C24H31NO7
M.W.:
445.51
Type:
Unknown
AlogP:
1.56
Polar Surface Area:
108.00
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4531392 Name:
methyl 3-(3-((1-(3,4,5-trimethoxyphenyl)-9H-pyrido
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Mol. Formula:
C31H29N3O5
M.W.:
523.59
Type:
Unknown
AlogP:
6.21
Polar Surface Area:
94.70
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4555936 Name:
N-hydroxy-3-(3-methoxy-4-(2-(1-(4-methoxyphenyl)-9
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Mol. Formula:
C30H28N4O5
M.W.:
524.58
Type:
Unknown
AlogP:
5.41
Polar Surface Area:
117.73
HBA:
7
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4745059 Name:
ent-6beta,7beta-dihydroxy-(14beta-O-(O2-methoxyacy
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Mol. Formula:
C30H41N3O12
M.W.:
635.67
Type:
Unknown
AlogP:
0.95
Polar Surface Area:
196.56
HBA:
13
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4744712 Name:
(S)-2,3-dimethoxy-9,11,12,13,13a,14-hexahydrodiben
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Mol. Formula:
C25H28N2O4
M.W.:
420.51
Type:
Unknown
AlogP:
4.59
Polar Surface Area:
51.24
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4744258 Name:
Meliazedarine F
Mol. Formula:
C43H46O9
M.W.:
706.83
Type:
Unknown
AlogP:
7.33
Polar Surface Area:
110.50
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4744010 Name:
(R,E)-2,3-dimethoxy-9,11,12,13,13a,14-hexahydrodib
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Mol. Formula:
C32H29NO6
M.W.:
523.59
Type:
Unknown
AlogP:
5.88
Polar Surface Area:
66.46
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4743852 Name:
15-O-deacetyl-15-O-methylnimbolidin B
Mol. Formula:
C37H50O11
M.W.:
670.80
Type:
Unknown
AlogP:
5.47
Polar Surface Area:
136.80
HBA:
11
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4743634 Name:
(R)-2,3-dimethoxy-9,11,12,13,13a,14-hexahydrodiben
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Mol. Formula:
C29H27NO4
M.W.:
453.54
Type:
Unknown
AlogP:
5.75
Polar Surface Area:
48.00
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4743449 Name:
(R)-2,3-dimethoxy-9,11,12,13,13a,14-hexahydrodiben
Show More⌵
Mol. Formula:
C29H28N2O4
M.W.:
468.55
Type:
Unknown
AlogP:
5.33
Polar Surface Area:
74.02
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4743289 Name:
(R)-2,3-dimethoxy-9,11,12,13,13a,14-hexahydrodiben
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Mol. Formula:
C24H25NO4
M.W.:
391.47
Type:
Unknown
AlogP:
4.46
Polar Surface Area:
48.00
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4740816 Name:
(S)-2-(((R)-2,3-dimethoxy-9,11,12,13,13a,14-hexahy
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Mol. Formula:
C29H34N2O5
M.W.:
490.60
Type:
Unknown
AlogP:
4.20
Polar Surface Area:
69.26
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4740398 Name:
(R)-2,3-dimethoxy-9,11,12,13,13a,14-hexahydrodiben
Show More⌵
Mol. Formula:
C28H26N2O4
M.W.:
454.53
Type:
Unknown
AlogP:
5.14
Polar Surface Area:
60.89
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4764432 Name:
Nimbolinin A
Mol. Formula:
C37H44O10
M.W.:
648.75
Type:
Unknown
AlogP:
5.35
Polar Surface Area:
130.73
HBA:
10
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4764197 Name:
(S)-2-(((R)-2,3-dimethoxy-9,11,12,13,13a,14-hexahy
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Mol. Formula:
C30H38N2O5
M.W.:
506.64
Type:
Unknown
AlogP:
4.83
Polar Surface Area:
83.25
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4764171 Name:
Nimbolidin A
Mol. Formula:
C40H48O12
M.W.:
720.81
Type:
Unknown
AlogP:
5.73
Polar Surface Area:
153.87
HBA:
12
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4763235 Name:
(2E,4E)-(R)-2,3-dimethoxy-9,11,12,13,13a,14-hexahy
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Mol. Formula:
C34H31NO6
M.W.:
549.62
Type:
Unknown
AlogP:
6.43
Polar Surface Area:
66.46
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4762493 Name:
ent-6beta,7beta-dihydroxy-(14beta-O-(O2-methoxyacy
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Mol. Formula:
C30H41N3O11
M.W.:
619.67
Type:
Unknown
AlogP:
1.71
Polar Surface Area:
187.33
HBA:
12
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4761981 Name:
Meliazedarine H
Mol. Formula:
C39H46O9
M.W.:
658.79
Type:
Unknown
AlogP:
6.58
Polar Surface Area:
110.50
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
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