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ALA2281750 Name:
(4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridi
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Mol. Formula:
C27H22ClNO2
M.W.:
427.93
Type:
Small molecule
AlogP:
6.34
Polar Surface Area:
46.17
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5274931 Name:
N-(quinolin-3-yl)-3-((3R,5aS,6R,8aS,9R,10R,12R,12a
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Mol. Formula:
C27H34N2O5
M.W.:
466.58
Type:
---
AlogP:
5.20
Polar Surface Area:
78.91
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA5273856 Name:
2-(4-hydroxy-3-methoxy-5-(piperidin-1-ylmethyl)ben
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Mol. Formula:
C23H25NO3
M.W.:
363.46
Type:
---
AlogP:
4.21
Polar Surface Area:
49.77
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA562810 Name:
mulberrofuran W
Mol. Formula:
C29H34O4
M.W.:
446.59
Type:
Small molecule
AlogP:
8.18
Polar Surface Area:
73.83
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
Type:
Small molecule
AlogP:
4.71
Polar Surface Area:
100.13
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA517059 Name:
isoalvaxanthone
Cas Number:
199851-56-4
Mol. Formula:
C23H24O6
M.W.:
396.44
Type:
Small molecule
AlogP:
4.74
Polar Surface Area:
111.13
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA478791 Name:
gerontoxanthone I
Mol. Formula:
C23H24O6
M.W.:
396.44
Type:
Small molecule
AlogP:
4.74
Polar Surface Area:
111.13
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA514057 Name:
gerontoxanthone H
Cas Number:
125140-06-9
Mol. Formula:
C23H24O5
M.W.:
380.44
Type:
Small molecule
AlogP:
5.08
Polar Surface Area:
90.90
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA479107 Name:
gerontoxanthone G
Mol. Formula:
C23H24O6
M.W.:
396.44
Type:
Small molecule
AlogP:
4.63
Polar Surface Area:
100.13
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA478938 Name:
gerontoxanthone B
Mol. Formula:
C23H22O6
M.W.:
394.42
Type:
Small molecule
AlogP:
4.71
Polar Surface Area:
100.13
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA517514 Name:
gerontoxanthone A
Mol. Formula:
C23H22O6
M.W.:
394.42
Type:
Small molecule
AlogP:
4.60
Polar Surface Area:
89.13
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA478937 Name:
alvaxanthone
Mol. Formula:
C23H24O6
M.W.:
396.44
Type:
Small molecule
AlogP:
4.74
Polar Surface Area:
111.13
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA517213 Name:
Cudraphenone A
Mol. Formula:
C23H24O4
M.W.:
364.44
Type:
Small molecule
AlogP:
5.02
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA504992 Name:
(23S,24S)-21-acetoxy-3beta,23-dihydroxy-24-[(O-bet
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Mol. Formula:
C58H88O29
M.W.:
1249.31
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA508176 Name:
(23S,24S)-21-acetoxy-24-[(O-beta-D-glucopyranosyl)
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Mol. Formula:
C58H88O30
M.W.:
1265.31
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA525058 Name:
(23S,24S)-21-acetoxy-3beta,23,24-trihydroxyspirost
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Mol. Formula:
C52H78O25
M.W.:
1103.17
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA498912 Name:
(23S,24S)-3beta,23,24-trihydroxyspirosta-5,25(27)-
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Mol. Formula:
C50H76O23
M.W.:
1045.14
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA502661 Name:
(23S)-3beta,23-dihydroxyspirosta-5,25(27)-dien-1be
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Mol. Formula:
C50H76O22
M.W.:
1029.14
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
Small molecule
AlogP:
0.36
Polar Surface Area:
187.12
HBA:
11
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA443199 Name:
5bea,14beta-dihydroxy-19-oxo-3beta-[(alpha-L-rhamn
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Cas Number:
20300-44-1
Mol. Formula:
C30H42O10
M.W.:
562.66
Type:
Small molecule
AlogP:
1.39
Polar Surface Area:
166.89
HBA:
10
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
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