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ALA4525389 Name:
Gastropolybenzylol B
Mol. Formula:
C16H18O3
M.W.:
258.32
Type:
Unknown
AlogP:
3.23
Polar Surface Area:
49.69
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4532922 Name:
2-(4-hydroxybenzyl)-4-(4-hydroxyphenoxy)phenol
Mol. Formula:
C19H16O4
M.W.:
308.33
Type:
Unknown
AlogP:
4.19
Polar Surface Area:
69.92
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4548591 Name:
N-(2-(2-bromo-5-(2-hydroxyethoxy)-1H-indol-3-yl)et
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Mol. Formula:
C14H17BrN2O3
M.W.:
341.20
Type:
Unknown
AlogP:
1.98
Polar Surface Area:
74.35
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4581294 Name:
[(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[4-[4-[(2S,3R
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Mol. Formula:
C40H46O20S
M.W.:
878.85
Type:
Unknown
AlogP:
2.76
Polar Surface Area:
247.32
HBA:
21
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4577251 Name:
Gastropolybenzylol C
Mol. Formula:
C16H18O3
M.W.:
258.32
Type:
Unknown
AlogP:
3.23
Polar Surface Area:
49.69
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4778192 Name:
3-(Cyclopentylmethyl)-5-[2-(5-methoxy-1H-indol-3-y
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Mol. Formula:
C19H23N3O3
M.W.:
341.41
Type:
Unknown
AlogP:
3.30
Polar Surface Area:
73.05
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4783536 Name:
5-[(E)-2-(5-Methoxy-1H-indol-3-yl)ethenyl]-1,3,4-o
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Mol. Formula:
C13H11N3O3
M.W.:
257.25
Type:
Unknown
AlogP:
2.02
Polar Surface Area:
83.91
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4783454 Name:
5-[(E)-2-(5-Methoxy-1H-indol-3-yl)ethenyl]-3-(prop
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Mol. Formula:
C16H13N3O3
M.W.:
295.30
Type:
Unknown
AlogP:
2.13
Polar Surface Area:
73.05
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4781688 Name:
(2E)-3-(5-Methoxy-1H-indol-3-yl)-N-(prop-2-yn-1-yl
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Mol. Formula:
C15H14N2O2
M.W.:
254.29
Type:
Unknown
AlogP:
1.94
Polar Surface Area:
54.12
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4794879 Name:
5-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-N-methyl-1,3,
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Mol. Formula:
C14H16N4O2
M.W.:
272.31
Type:
Unknown
AlogP:
2.39
Polar Surface Area:
75.97
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4794450 Name:
5-[(E)-2-(6,7-Dimethoxynaphthalen-1-yl)ethenyl]-1,
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Mol. Formula:
C16H14N2O4
M.W.:
298.30
Type:
Unknown
AlogP:
2.70
Polar Surface Area:
77.35
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4794019 Name:
5-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-3-propyl-1,3,
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Mol. Formula:
C16H19N3O3
M.W.:
301.35
Type:
Unknown
AlogP:
2.52
Polar Surface Area:
73.05
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4793947 Name:
3-(Cyclobutylmethyl)-5-[2-(5-methoxy-1H-indol-3-yl
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Mol. Formula:
C18H21N3O3
M.W.:
327.38
Type:
Unknown
AlogP:
2.91
Polar Surface Area:
73.05
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4792353 Name:
3-Hexyl-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4
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Mol. Formula:
C19H25N3O3
M.W.:
343.43
Type:
Unknown
AlogP:
3.69
Polar Surface Area:
73.05
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4791901 Name:
(2E)-3-(5-Methoxy-1H-indol-3-yl)-N-(prop-2-en-1-yl
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Mol. Formula:
C15H16N2O2
M.W.:
256.31
Type:
Unknown
AlogP:
2.49
Polar Surface Area:
54.12
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4787877 Name:
5-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-3-(3-phenylpr
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Mol. Formula:
C22H23N3O3
M.W.:
377.44
Type:
Unknown
AlogP:
3.74
Polar Surface Area:
73.05
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4787595 Name:
3-Heptyl-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,
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Mol. Formula:
C20H27N3O3
M.W.:
357.45
Type:
Unknown
AlogP:
4.08
Polar Surface Area:
73.05
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4861281 Name:
2-(2-ethoxy-6-methoxybenzoimidazol-1-yl)ethylamine
Mol. Formula:
C12H17N3O2
M.W.:
235.29
Type:
Unknown
AlogP:
1.40
Polar Surface Area:
62.30
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4860729 Name:
Cyclobutanecarboxylic acid [2-(2-ethoxy-6-methoxyb
Show More⌵
Mol. Formula:
C17H23N3O3
M.W.:
317.39
Type:
Unknown
AlogP:
2.36
Polar Surface Area:
65.38
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4859677 Name:
N-[2-(2-ethoxy-6-methoxybenzoimidazol-1-yl)ethyl]a
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Mol. Formula:
C14H19N3O3
M.W.:
277.32
Type:
Unknown
AlogP:
1.58
Polar Surface Area:
65.38
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
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