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ALA4870540 Name:
Physachenolide C
Mol. Formula:
C30H40O9
M.W.:
544.64
Type:
Unknown
AlogP:
2.30
Polar Surface Area:
142.89
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4760862 Name:
N-(4-isopropylphenyl)-5-(3-morpholinopropoxy)quinolin-2-amine
Mol. Formula:
C25H31N3O2
M.W.:
405.54
Type:
Unknown
AlogP:
5.20
Polar Surface Area:
46.62
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4594162 Name:
(5-((S)-2-((3aR,5S)-5-Allyl-6-oxo-3a,4,5,6-tetrahydrobenzo[d]-[1,3]dioxol-3Show More⌵
Mol. Formula:
C21H23NO4
M.W.:
353.42
Type:
Unknown
AlogP:
3.54
Polar Surface Area:
68.55
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4591755 Name:
(2-(1H-Indol-4-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl)-methanone
Mol. Formula:
C21H19N3O4
M.W.:
377.40
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
89.23
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4587943 Name:
(N-(5-((S)-2-((3aR,5S)-5-Allyl-6-oxo-3a,4,5,6-tetrahydrobenzo[d]-[1,3]dioxoShow More⌵
Mol. Formula:
C22H27NO5
M.W.:
385.46
Type:
Unknown
AlogP:
3.62
Polar Surface Area:
73.86
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4582258 Name:
(2-(5-Fluoro-1H-indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl)methanShow More⌵
Mol. Formula:
C21H18FN3O4
M.W.:
395.39
Type:
Unknown
AlogP:
3.95
Polar Surface Area:
89.23
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4580938 Name:
(2-(5-Chloro-1H-indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl)methanShow More⌵
Mol. Formula:
C21H18ClN3O4
M.W.:
411.85
Type:
Unknown
AlogP:
4.47
Polar Surface Area:
89.23
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4575966 Name:
(2-(7-Methoxy-1H-indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl)methaShow More⌵
Mol. Formula:
C22H21N3O5
M.W.:
407.43
Type:
Unknown
AlogP:
3.82
Polar Surface Area:
98.46
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4574279 Name:
((6S,7aR)-6-Allyl-7a-(1-(4-ethoxyphenyl)propan-2-yl)-7,7adihydrobenzo[d][1,Show More⌵
Mol. Formula:
C21H26O4
M.W.:
342.44
Type:
Unknown
AlogP:
4.06
Polar Surface Area:
44.76
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4569965 Name:
(2-(1H-Indol-7-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl)-methanone
Mol. Formula:
C21H19N3O4
M.W.:
377.40
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
89.23
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4569906 Name:
(2-(6-Hydroxy-1H-indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl)methaShow More⌵
Mol. Formula:
C21H19N3O5
M.W.:
393.40
Type:
Unknown
AlogP:
3.52
Polar Surface Area:
109.46
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4567888 Name:
(2-(5-(Benzyloxy)-1H-indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl)mShow More⌵
Mol. Formula:
C28H25N3O5
M.W.:
483.52
Type:
Unknown
AlogP:
5.39
Polar Surface Area:
98.46
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4566913 Name:
((6S,7aR)-6-Allyl-7a-((S)-1-(2-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-ylShow More⌵
Mol. Formula:
C20H23FO5
M.W.:
362.40
Type:
Unknown
AlogP:
3.51
Polar Surface Area:
64.99
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4562212 Name:
(5-((S)-2-((3aR,5S)-5-Allyl-6-oxo-3a,4,5,6-tetrahydrobenzo[d]-[1,3]dioxol-3Show More⌵
Mol. Formula:
C22H27NO5
M.W.:
385.46
Type:
Unknown
AlogP:
3.03
Polar Surface Area:
73.86
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4562103 Name:
(2-(6-Methoxy-1H-indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl)methaShow More⌵
Mol. Formula:
C22H21N3O5
M.W.:
407.43
Type:
Unknown
AlogP:
3.82
Polar Surface Area:
98.46
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4560939 Name:
((6S,7aR)-6-Allyl-7a-(1-(4-fluorophenyl)propan-2-yl)-7,7adihydrobenzo[d][1,Show More⌵
Mol. Formula:
C19H21FO3
M.W.:
316.37
Type:
Unknown
AlogP:
3.80
Polar Surface Area:
35.53
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4560897 Name:
(2-(4-Fluoro-1H-indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl)methanShow More⌵
Mol. Formula:
C21H18FN3O4
M.W.:
395.39
Type:
Unknown
AlogP:
3.95
Polar Surface Area:
89.23
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4556672 Name:
(N-(5-((S)-2-((3aR,5S)-5-Allyl-6-oxo-3a,4,5,6-tetrahydrobenzo[d]-[1,3]dioxoShow More⌵
Mol. Formula:
C22H26FNO5
M.W.:
403.45
Type:
Unknown
AlogP:
3.76
Polar Surface Area:
73.86
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4556495 Name:
((6S,7aR)-6-Allyl-7a-((S)-1-(3-methoxyphenyl)propan-2-yl)-7,7adihydrobenzo[Show More⌵
Mol. Formula:
C20H24O4
M.W.:
328.41
Type:
Unknown
AlogP:
3.67
Polar Surface Area:
44.76
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4553192 Name:
((6S,7aR)-6-Allyl-7a-((S)-1-(2,5-difluoro-4-methoxyphenyl)-propan-2-yl)-7,7Show More⌵
Mol. Formula:
C20H22F2O4
M.W.:
364.39
Type:
Unknown
AlogP:
3.94
Polar Surface Area:
44.76
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
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