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ALA4878643 Name:
2,3-Dihydrophysachenolide C
Mol. Formula:
C30H42O9
M.W.:
546.66
Type:
Unknown
AlogP:
2.52
Polar Surface Area:
142.89
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4876149 Name:
(20S,22R)-18-Acetoxy-4-beta,5-beta-epoxy-6-alpha,1
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Mol. Formula:
C30H40O10
M.W.:
560.64
Type:
Unknown
AlogP:
1.27
Polar Surface Area:
163.12
HBA:
10
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4875435 Name:
7alpha(buta-1,3-dienyl)4-androsten-17alpha-ol-3-on
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Mol. Formula:
C23H32O2
M.W.:
340.51
Type:
Unknown
AlogP:
4.85
Polar Surface Area:
37.30
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4875260 Name:
(20S,22R)-18-Acetoxy-4-beta,5-beta-epoxy-14-alpha,
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Mol. Formula:
C30H38O10
M.W.:
558.62
Type:
Unknown
AlogP:
1.48
Polar Surface Area:
159.96
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4874379 Name:
6-Acetoxyphysacoztolide D[(20S,22R)-6-beta,18-diac
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Mol. Formula:
C32H42O10
M.W.:
586.68
Type:
Unknown
AlogP:
2.63
Polar Surface Area:
156.66
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4871524 Name:
trans,trans,trans-1,6-bis(4-androsten-3,17-dione-7
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Mol. Formula:
C44H56O4
M.W.:
648.93
Type:
Unknown
AlogP:
9.31
Polar Surface Area:
68.28
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4871061 Name:
6-Acetoxy-6-epi-physacoztolide D[(20S,22R)-6-alpha
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Mol. Formula:
C32H42O10
M.W.:
586.68
Type:
Unknown
AlogP:
2.63
Polar Surface Area:
156.66
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4870660 Name:
(20S,22R)-6-beta,18-Diacetoxy-4-beta,5-beta-epoxy-
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Mol. Formula:
C32H42O11
M.W.:
602.68
Type:
Unknown
AlogP:
1.84
Polar Surface Area:
169.19
HBA:
11
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4869841 Name:
(20S,22R)-18-Acetoxy-4-beta,5-beta-epoxy-6-beta,14
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Mol. Formula:
C30H40O10
M.W.:
560.64
Type:
Unknown
AlogP:
1.27
Polar Surface Area:
163.12
HBA:
10
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5287354 Name:
3-chloro-5a,9a-dihydrospiro[benzo[b]fluorene-11,1'
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Mol. Formula:
C24H14ClNO3
M.W.:
399.83
Type:
---
AlogP:
3.60
Polar Surface Area:
63.24
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5285989 Name:
(2S)-2-[[(1S)-1-carboxy-6-[[4-[[[4-[[[2-[4,7,10-tr
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Mol. Formula:
C45H69N9O16
M.W.:
992.09
Type:
---
AlogP:
-0.94
Polar Surface Area:
365.19
HBA:
14
HBD:
11
#RO5 Violations:
3
#Rotatable Bonds:
27
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5285964 Name:
(8R,10R,12R,14R)-12-hydroxy-4,4,8,10,14-pentamethy
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Mol. Formula:
C38H53F3O3
M.W.:
614.83
Type:
---
AlogP:
9.66
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5284087 Name:
5a,9a-dihydrospiro[benzo[b]fluorene-11,1'-isoindol
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Mol. Formula:
C24H15NO3
M.W.:
365.39
Type:
---
AlogP:
2.95
Polar Surface Area:
63.24
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5280483 Name:
(2S)-2-[[(1S)-1-carboxy-5-[[4-[[[3-(1-naphthyl)-2-
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Mol. Formula:
C49H71N9O16
M.W.:
1042.15
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5279851 Name:
(2S)-2-[[(1S)-1-carboxy-5-[[4-[[[2-[4,7,10-tris(ca
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Mol. Formula:
C36H54N8O15
M.W.:
838.87
Type:
---
AlogP:
-2.25
Polar Surface Area:
336.09
HBA:
13
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5279511 Name:
(2S)-2-[[(1S)-1-carboxy-5-[[4-[[[4-[[[4-[[[4-[[[2-
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Mol. Formula:
C60H75N11O18
M.W.:
1238.32
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4866108 Name:
4-alpha-Acetoxyphysachenolide C[(20S,22R)-4-alpha,
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Mol. Formula:
C32H42O11
M.W.:
602.68
Type:
Unknown
AlogP:
1.84
Polar Surface Area:
169.19
HBA:
11
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4865990 Name:
7alpha(buta-1,3-dienyl)4-androsten-17beta-ol-3-one
Mol. Formula:
C23H32O2
M.W.:
340.51
Type:
Unknown
AlogP:
4.85
Polar Surface Area:
37.30
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4864487 Name:
4-beta-Hydroxyphysachenolide D[(20S,22R)-18-acetox
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Mol. Formula:
C30H40O9
M.W.:
544.64
Type:
Unknown
AlogP:
2.06
Polar Surface Area:
150.59
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4864434 Name:
trans,trans,trans-1,6-bis(17alpha-hydroxy-4-andros
Show More⌵
Mol. Formula:
C44H60O4
M.W.:
652.96
Type:
Unknown
AlogP:
8.89
Polar Surface Area:
74.60
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
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