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ALA5287946 Name:
7-(5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzyl)-2,4
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Mol. Formula:
C26H31N3O3S
M.W.:
465.62
Type:
---
AlogP:
5.35
Polar Surface Area:
83.29
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA1085430 Name:
arteminorin C
Mol. Formula:
C20H14O9
M.W.:
398.32
Type:
Small molecule
AlogP:
2.70
Polar Surface Area:
139.57
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5208786 Name:
N-(3-cyano-1-(4-bromobenzyl)-1H-indol-5-yl]-6-oxo-
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Mol. Formula:
C21H14BrN5O2
M.W.:
448.28
Type:
---
AlogP:
3.66
Polar Surface Area:
103.57
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5208608 Name:
1-cyclopentyl-5-(6-oxo-1,6-dihydropyrimidin-2-yl)-
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Mol. Formula:
C18H16N4O
M.W.:
304.35
Type:
---
AlogP:
3.79
Polar Surface Area:
74.73
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5208499 Name:
N-(3-cyano-1-allyl-1H-indol-6-yl)-6-oxo-1,6-dihydr
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Mol. Formula:
C17H13N5O2
M.W.:
319.32
Type:
---
AlogP:
2.03
Polar Surface Area:
103.57
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5208413 Name:
methyl 3-(4-((butylsulfonyl)oxy)-3-methoxyphenyl)a
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Mol. Formula:
C15H20O6S
M.W.:
328.39
Type:
---
AlogP:
2.39
Polar Surface Area:
78.90
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5207937 Name:
4-(3-((4-ethylphenyl)amino)-3-oxoprop-1-en-1-yl)-2
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Mol. Formula:
C22H27NO5S
M.W.:
417.53
Type:
---
AlogP:
4.42
Polar Surface Area:
81.70
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5207561 Name:
ethyl 3-(4-((butylsulfonyl)oxy)-3-methoxyphenyl)ac
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Mol. Formula:
C16H22O6S
M.W.:
342.41
Type:
---
AlogP:
2.78
Polar Surface Area:
78.90
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5207426 Name:
2-[4-(4-chlorobenzyloxy)-3-cyano]phenylpyrimidine-
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Mol. Formula:
C19H12ClN3O3
M.W.:
365.78
Type:
---
AlogP:
3.95
Polar Surface Area:
96.10
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5206769 Name:
2-(3-cyano-4-isopentyloxy)phenylpyrimidine-4-carbo
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Mol. Formula:
C17H17N3O3
M.W.:
311.34
Type:
---
AlogP:
3.14
Polar Surface Area:
96.10
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA5206057 Name:
N-(3-cyano-1-isopropyl-1H-indol-5-yl)-6-oxo-1,6-di
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Mol. Formula:
C17H15N5O2
M.W.:
321.34
Type:
---
AlogP:
2.43
Polar Surface Area:
103.57
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA5206013 Name:
N-(3-cyano-1-(4-methoxybenzyl)-1H-indol-5-yl)-6-ox
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Mol. Formula:
C22H17N5O3
M.W.:
399.41
Type:
---
AlogP:
2.91
Polar Surface Area:
112.80
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5205761 Name:
6-(3-cyano-4-(cyclohexylmethoxy)phenyl)-1,2-dihydr
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Mol. Formula:
C19H19N5O2
M.W.:
349.39
Type:
---
AlogP:
3.14
Polar Surface Area:
107.45
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5203944 Name:
2-(3-cyano-4-(cyclohexylmethoxy))phenylpyrimidine-
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Mol. Formula:
C19H19N3O3
M.W.:
337.38
Type:
---
AlogP:
3.67
Polar Surface Area:
96.10
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA5203215 Name:
4-(3-((2-bromophenyl)amino)-3-oxoprop-1-en-1-yl)-2
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Mol. Formula:
C20H22BrNO5S
M.W.:
468.37
Type:
---
AlogP:
4.62
Polar Surface Area:
81.70
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5202994 Name:
N-(3-cyano-1-cyclopentyl-1H-indol-6-yl)-6-oxo-1,6-
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Mol. Formula:
C19H17N5O2
M.W.:
347.38
Type:
---
AlogP:
2.96
Polar Surface Area:
103.57
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5202914 Name:
N-(3-cyano-1-methyl-1H-indol-5-yl)-2-methyl-6-oxo-
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Mol. Formula:
C20H19N5O2
M.W.:
361.41
Type:
---
AlogP:
3.27
Polar Surface Area:
103.57
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5202331 Name:
6-(3-cyano-4-isopentyloxyphenyl)-1,2-dihydro-3H-py
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Mol. Formula:
C17H17N5O2
M.W.:
323.36
Type:
---
AlogP:
2.61
Polar Surface Area:
107.45
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5201100 Name:
(E)-2-amino-5-(4-methoxybenzylidene)thiazol-4(5H)-
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Mol. Formula:
C11H10N2O2S
M.W.:
234.28
Type:
---
AlogP:
1.62
Polar Surface Area:
64.68
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA5199977 Name:
(Z)-2-amino-5-(3-((4-chlorobenzyl)oxy)-4-methoxybe
Show More⌵
Mol. Formula:
C18H15ClN2O3S
M.W.:
374.85
Type:
---
AlogP:
3.86
Polar Surface Area:
73.91
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
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