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ALA4514624 Name:
Biselyngbyaside C
Mol. Formula:
C33H50O11
M.W.:
622.75
Type:
Unknown
AlogP:
3.24
Polar Surface Area:
142.37
HBA:
11
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4536029 Name:
N-((3-chlorophenyl)(4-((4-(7-chloroquinolin-4-yl)p
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Mol. Formula:
C36H30Cl3N5
M.W.:
639.03
Type:
Unknown
AlogP:
9.27
Polar Surface Area:
44.29
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4534285 Name:
Thapsigargin
Mol. Formula:
C34H50O12
M.W.:
650.76
Type:
Unknown
AlogP:
3.93
Polar Surface Area:
171.96
HBA:
12
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4531692 Name:
(S)-N1-((S)-4-amino-1-((S)-1-((S)-2-((6S,9S,12S,15
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Mol. Formula:
C132H211N35O28
M.W.:
2736.36
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4464895 Name:
(2,4-dibromobenzene-1,3,5-triyl)tris(methylene)tri
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Mol. Formula:
C12H19Br5N6S3
M.W.:
743.05
Type:
Unknown
AlogP:
3.59
Polar Surface Area:
149.61
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4472084 Name:
(2S,3R,4S,5R,6R)-6-(((2R,3S,4S,5R,6S)-6-(2-(3,4-di
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Mol. Formula:
C45H64O17
M.W.:
876.99
Type:
Unknown
AlogP:
5.13
Polar Surface Area:
275.50
HBA:
17
HBD:
9
#RO5 Violations:
4
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
Type:
Unknown
AlogP:
7.10
Polar Surface Area:
132.75
HBA:
8
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4637788 Name:
Albanol B
Mol. Formula:
C34H22O8
M.W.:
558.54
Type:
Unknown
AlogP:
7.26
Polar Surface Area:
132.75
HBA:
8
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5268892 Name:
Biselyngbyaside D
Mol. Formula:
C34H52O11
M.W.:
636.78
Type:
---
AlogP:
3.63
Polar Surface Area:
142.37
HBA:
11
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4446290 Name:
(5Z,8Z,11Z,14Z)-((2S,3R,4S,5R,6R)-6-(((2R,3S,4S,5R
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Mol. Formula:
C47H60O17
M.W.:
896.98
Type:
Unknown
AlogP:
5.01
Polar Surface Area:
275.50
HBA:
17
HBD:
9
#RO5 Violations:
4
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA4439663 Name:
((2S,3R,4S,5R,6R)-6-(((2R,3S,4S,5R,6S)-6-(2-(3,4-d
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Mol. Formula:
C45H60O17
M.W.:
872.96
Type:
Unknown
AlogP:
4.68
Polar Surface Area:
275.50
HBA:
17
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA4436782 Name:
(S)-N1-((S)-4-amino-1-((S)-1-((S)-2-((6S,9S,19S,22
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Mol. Formula:
C129H213N35O28
M.W.:
2702.34
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3586100 Name:
saikosaponin D
Mol. Formula:
C42H68O13
M.W.:
780.99
Type:
Small molecule
AlogP:
1.78
Polar Surface Area:
207.99
HBA:
13
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA3586098 Name:
esculentin A
Mol. Formula:
C24H32O6
M.W.:
416.51
Type:
Small molecule
AlogP:
4.26
Polar Surface Area:
78.90
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA3586097 Name:
(1S,3R,5R,6aS,7R,8R,101S)-7,8-dimethyl-7-(3-methyl
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Mol. Formula:
C26H38O7
M.W.:
462.58
Type:
Small molecule
AlogP:
4.70
Polar Surface Area:
88.13
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA3586096 Name:
casearborin F
Mol. Formula:
C33H40O10
M.W.:
596.67
Type:
Small molecule
AlogP:
5.16
Polar Surface Area:
134.66
HBA:
10
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA2332554 Name:
(2aS,31R,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-(butyryl
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Mol. Formula:
C34H48O11
M.W.:
632.75
Type:
Small molecule
AlogP:
4.97
Polar Surface Area:
144.03
HBA:
11
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA2332553 Name:
(2S,3S,3aR,4S,6S,6aR,6bS,9aR,10aS)-4-Acetoxy-6-(bu
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Mol. Formula:
C39H59NO12
M.W.:
733.90
Type:
Small molecule
AlogP:
5.59
Polar Surface Area:
165.48
HBA:
13
HBD:
1
#RO5 Violations:
3
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA2332552 Name:
(2S,3S,3aR,4S,6S,6aR,6bS,9aR,10aS)-4-Acetoxy-6-(bu
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Mol. Formula:
C38H57NO11
M.W.:
703.87
Type:
Small molecule
AlogP:
5.96
Polar Surface Area:
156.25
HBA:
12
HBD:
1
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA2332551 Name:
(2S,3S,3aR,4S,6S,6aR,6bS,9aR,10aS)-4-Acetoxy-6-(bu
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Mol. Formula:
C36H53NO11
M.W.:
675.82
Type:
Small molecule
AlogP:
5.18
Polar Surface Area:
156.25
HBA:
12
HBD:
1
#RO5 Violations:
3
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
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