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ALA4874624 Name:
Oregonin
Mol. Formula:
C24H30O10
M.W.:
478.49
Type:
Unknown
AlogP:
0.86
Polar Surface Area:
177.14
HBA:
10
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4870289 Name:
Giffonin W
Mol. Formula:
C19H20O7
M.W.:
360.36
Type:
Unknown
AlogP:
-0.12
Polar Surface Area:
138.45
HBA:
7
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4869793 Name:
Giffonin K
Mol. Formula:
C21H22O6
M.W.:
370.40
Type:
Unknown
AlogP:
3.57
Polar Surface Area:
88.38
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4868561 Name:
Giffonin X
Mol. Formula:
C19H20O5
M.W.:
328.36
Type:
Unknown
AlogP:
1.93
Polar Surface Area:
97.99
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4867521 Name:
Giffonin N
Mol. Formula:
C25H30O10
M.W.:
490.51
Type:
Unknown
AlogP:
-0.24
Polar Surface Area:
177.14
HBA:
10
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4864244 Name:
Carpinotriol B
Mol. Formula:
C19H20O6
M.W.:
344.36
Type:
Unknown
AlogP:
0.91
Polar Surface Area:
118.22
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4864040 Name:
Alnusone
Mol. Formula:
C19H18O3
M.W.:
294.35
Type:
Unknown
AlogP:
3.77
Polar Surface Area:
57.53
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA1078314 Name:
GGTTGGTGTGGTTGG
Mol. Formula:
C150H187N57O103P14
M.W.:
4870.08
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4849304 Name:
Giffonin J
Mol. Formula:
C21H24O6
M.W.:
372.42
Type:
Unknown
AlogP:
3.79
Polar Surface Area:
88.38
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4782167 Name:
NA
Mol. Formula:
C112H153N5Na22O151S22
M.W.:
5196.59
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4782067 Name:
NA
Mol. Formula:
C151H187F3N57O97P15
M.W.:
4874.06
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4781858 Name:
N-((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)-3-et
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Mol. Formula:
C16H16F2N6S
M.W.:
362.41
Type:
Unknown
AlogP:
3.21
Polar Surface Area:
68.52
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4777932 Name:
(1S,2R,3S,4R)-4-(5-chloro-7-(((1R,2S)-2-(3,4-diflu
Show More⌵
Mol. Formula:
C18H17ClF2N6O3
M.W.:
438.82
Type:
Unknown
AlogP:
1.15
Polar Surface Area:
129.21
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4777212 Name:
(5-Amino-3-(pyridin-2-yl)-1H-1,2,4-triazol-1-yl)(3
Show More⌵
Mol. Formula:
C16H15N5O
M.W.:
293.33
Type:
Unknown
AlogP:
2.23
Polar Surface Area:
86.69
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4776800 Name:
NA
Mol. Formula:
C52H72N2Na10O69S10
M.W.:
2379.66
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4776259 Name:
(5-Amino-3-(pyridin-2-yl)-1H-1,2,4-triazol-1-yl)(n
Show More⌵
Mol. Formula:
C18H13N5O
M.W.:
315.34
Type:
Unknown
AlogP:
2.76
Polar Surface Area:
86.69
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA5206023 Name:
(S)-4-amino-2-((3R,6S,9S,12S,15R,E)-15-((3S,6S,9S,
Show More⌵
Mol. Formula:
C84H138N24O29S4
M.W.:
2076.44
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5202369 Name:
(S)-2-((3R,6S,9S,12S,15R,E)-9-((1H-imidazol-5-yl)m
Show More⌵
Mol. Formula:
C90H147N27O29S4
M.W.:
2199.59
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5199320 Name:
(S)-1-((3R,6S,9S,12R)-12-((3S,6S,9S,12S,15S,18S)-1
Show More⌵
Mol. Formula:
C97H142N28O26S4
M.W.:
2244.64
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5198001 Name:
(S)-1-((3R,6S,9S,12R)-12-((S)-2-((S)-1-((3S,6S,9S,
Show More⌵
Mol. Formula:
C82H131N27O24S5
M.W.:
2039.45
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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