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ALA4877941 Name:
Elegansol A
Mol. Formula:
C20H36O2
M.W.:
308.51
Type:
Unknown
AlogP:
4.39
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4875917 Name:
Elegansol C
Mol. Formula:
C20H30O2
M.W.:
302.46
Type:
Unknown
AlogP:
5.04
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4874928 Name:
Sandaracopimar-8(14),15-dien-11-one
Mol. Formula:
C20H30O
M.W.:
286.46
Type:
Unknown
AlogP:
5.46
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4874654 Name:
1-(4-Chlorophenoxy)-3-(1H-1,2,4-triazol-1-yl)propa
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Mol. Formula:
C18H17ClN4O3
M.W.:
372.81
Type:
Unknown
AlogP:
3.63
Polar Surface Area:
78.27
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4874326 Name:
1-(1H-imidazole-1-yl)-3-phenoxypropan-2-yl (4-chlo
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Mol. Formula:
C19H18ClN3O3
M.W.:
371.82
Type:
Unknown
AlogP:
4.23
Polar Surface Area:
65.38
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4872353 Name:
(E)-5-chloro-N-(4-(phenyldiazenyl)phenyl)thiophene
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Cas Number:
902697-61-4
Mol. Formula:
C16H12ClN3O2S2
M.W.:
377.88
Type:
Unknown
AlogP:
5.62
Polar Surface Area:
70.89
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4871589 Name:
(E)-N-((1H-benzo[d]imidazole-2-yl)methyl)-N-(4-(ph
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Mol. Formula:
C26H21N5O2S
M.W.:
467.55
Type:
Unknown
AlogP:
6.37
Polar Surface Area:
90.78
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4871321 Name:
1-(1H-imidazole-1-yl)-3-phenoxypropan-2-yl (4-meth
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Mol. Formula:
C20H21N3O4
M.W.:
367.41
Type:
Unknown
AlogP:
3.59
Polar Surface Area:
74.61
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4871091 Name:
1-(1H-imidazole-1-yl)-3-phenoxypropan-2-yl phenylc
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Mol. Formula:
C19H19N3O3
M.W.:
337.38
Type:
Unknown
AlogP:
3.58
Polar Surface Area:
65.38
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4870604 Name:
(E)-2,4-dimethoxy-N-(4-(phenyldiazenyl)phenyl)benz
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Cas Number:
902697-75-0
Mol. Formula:
C20H19N3O4S
M.W.:
397.46
Type:
Unknown
AlogP:
4.92
Polar Surface Area:
89.35
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4870242 Name:
Elegansin E
Mol. Formula:
C17H26O4
M.W.:
294.39
Type:
Unknown
AlogP:
2.19
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4868867 Name:
(E)-N-((1H-benzo[d]imidazole-2-yl)methyl)-2,4-dime
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Mol. Formula:
C28H25N5O4S
M.W.:
527.61
Type:
Unknown
AlogP:
6.39
Polar Surface Area:
109.24
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5287563 Name:
(6S,8R,9S,10R,13S,14S)-10,13-dimethyl-6-(4-phenylb
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Mol. Formula:
C29H36O2
M.W.:
416.61
Type:
---
AlogP:
6.50
Polar Surface Area:
34.14
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5287546 Name:
(6R,8R,9S,10R,13S,14S)-10,13-dimethyl-6-(5-phenylp
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Mol. Formula:
C30H40O2
M.W.:
432.65
Type:
---
AlogP:
7.12
Polar Surface Area:
34.14
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5287480 Name:
(8R,9S,10S,13S,14S,17S)-17-hydroxy-10-(hydroxymeth
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Mol. Formula:
C19H28O3
M.W.:
304.43
Type:
---
AlogP:
2.85
Polar Surface Area:
57.53
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5287473 Name:
(6R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,17-dioxo-2
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Mol. Formula:
C26H38O4
M.W.:
414.59
Type:
---
AlogP:
5.58
Polar Surface Area:
60.44
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5287457 Name:
(6-(but-2-yn-1-yloxy)benzofuran-2-yl)(2,4-dichloro
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Mol. Formula:
C24H17Cl2NO3
M.W.:
438.31
Type:
---
AlogP:
5.82
Polar Surface Area:
55.49
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5287331 Name:
(2aS,6aS,6bS,8aS,11S,11aR,12aS,12bR)-10-acetyl-11-
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Mol. Formula:
C29H38N2O3
M.W.:
462.63
Type:
---
AlogP:
5.79
Polar Surface Area:
58.97
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5287129 Name:
(6S,8R,9S,10R,13S,14S)-6-azido-10,13-dimethyl-3,17
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Mol. Formula:
C21H27N3O4
M.W.:
385.46
Type:
---
AlogP:
3.92
Polar Surface Area:
109.20
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5287070 Name:
(2aS,6aS,6bS,8aS,11S,11aR,12aS,12bR,E)-4-ethyliden
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Mol. Formula:
C34H42N2
M.W.:
478.72
Type:
---
AlogP:
8.82
Polar Surface Area:
15.60
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
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