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ALA5281900 Name:
(S)-4-fluoro-N-((1-(4-(hydroxyamino)-1-(naphthalen
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Mol. Formula:
C24H22FN5O3
M.W.:
447.47
Type:
---
AlogP:
3.18
Polar Surface Area:
109.14
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3986116 Name:
US9243038, 27
Mol. Formula:
C45H63N9O8
M.W.:
858.05
Type:
Small molecule
AlogP:
1.11
Polar Surface Area:
258.82
HBA:
10
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA3980383 Name:
US9243038, 26
Mol. Formula:
C44H60N8O9
M.W.:
845.01
Type:
Small molecule
AlogP:
1.45
Polar Surface Area:
267.02
HBA:
10
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA3972636 Name:
US9243038, 6c
Mol. Formula:
C42H56N8O10
M.W.:
832.96
Type:
Small molecule
AlogP:
1.68
Polar Surface Area:
279.24
HBA:
11
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5208860 Name:
N-(3-imidazol-1-ylpropyl)-4-[1-(thiophene-2-carbon
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Mol. Formula:
C23H24N4O2S
M.W.:
420.54
Type:
---
AlogP:
4.12
Polar Surface Area:
68.92
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5207827 Name:
N-(3-imidazol-1-ylpropyl)-4-(1-methylindol-3-yl)bu
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Mol. Formula:
C19H24N4O
M.W.:
324.43
Type:
---
AlogP:
2.90
Polar Surface Area:
51.85
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5205704 Name:
N-(3-(1H-imidazol-4-yl)propyl)-4-(1-(phenylsulfony
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Mol. Formula:
C24H26N4O3S
M.W.:
450.56
Type:
---
AlogP:
3.67
Polar Surface Area:
96.85
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5204606 Name:
(2S)-2-amino-3-[1-(benzenesulfonyl)indol-3-yl]-N-(
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Mol. Formula:
C23H25N5O3S
M.W.:
451.55
Type:
---
AlogP:
2.15
Polar Surface Area:
112.01
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5204153 Name:
N-(3-imidazol-1-ylpropyl)-4-[1-(1-methylimidazol-4
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Mol. Formula:
C22H26N6O3S
M.W.:
454.56
Type:
---
AlogP:
2.34
Polar Surface Area:
103.81
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5203883 Name:
4-[1-(benzenesulfonyl)indol-2-yl]-N-(3-imidazol-1-
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Mol. Formula:
C24H26N4O3S
M.W.:
450.56
Type:
---
AlogP:
3.60
Polar Surface Area:
85.99
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5202559 Name:
3-[1-(benzenesulfonyl)indol-3-yl]-N-(3-imidazol-1-
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Mol. Formula:
C23H24N4O3S
M.W.:
436.54
Type:
---
AlogP:
3.21
Polar Surface Area:
85.99
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5201963 Name:
N-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)butanam
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Mol. Formula:
C18H22N4O
M.W.:
310.40
Type:
---
AlogP:
2.89
Polar Surface Area:
62.71
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5201427 Name:
2-[1-(benzenesulfonyl)indol-3-yl]-N-(3-imidazol-1-
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Mol. Formula:
C22H22N4O3S
M.W.:
422.51
Type:
---
AlogP:
2.82
Polar Surface Area:
85.99
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5198912 Name:
4-[1-(benzenesulfonyl)indol-3-yl]-N-(4-imidazol-1-
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Mol. Formula:
C25H28N4O3S
M.W.:
464.59
Type:
---
AlogP:
3.99
Polar Surface Area:
85.99
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5197600 Name:
(2R)-2-amino-3-[1-(benzenesulfonyl)indol-3-yl]-N-(
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Mol. Formula:
C23H25N5O3S
M.W.:
451.55
Type:
---
AlogP:
2.15
Polar Surface Area:
112.01
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5197300 Name:
3-[1-(benzenesulfonyl)indol-3-yl]propan-1-amine
Mol. Formula:
C17H18N2O2S
M.W.:
314.41
Type:
---
AlogP:
2.77
Polar Surface Area:
65.09
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA5195702 Name:
(2R)-3-[1-(benzenesulfonyl)indol-3-yl]-2-(tert-but
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Mol. Formula:
C22H24N2O6S
M.W.:
444.51
Type:
---
AlogP:
3.40
Polar Surface Area:
114.70
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5195657 Name:
N-(3-imidazol-1-ylpropyl)-4-[1-(2-thienylsulfonyl)
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Cas Number:
2785377-42-4
Mol. Formula:
C22H24N4O3S2
M.W.:
456.59
Type:
---
AlogP:
3.67
Polar Surface Area:
85.99
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5194998 Name:
N-(3-imidazol-1-ylpropyl)-4-[1-(1-naphthylsulfonyl
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Mol. Formula:
C28H28N4O3S
M.W.:
500.62
Type:
---
AlogP:
4.76
Polar Surface Area:
85.99
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5194929 Name:
4-[1-(benzenesulfonyl)indazol-3-yl]-N-(3-imidazol-
Show More⌵
Mol. Formula:
C23H25N5O3S
M.W.:
451.55
Type:
---
AlogP:
3.00
Polar Surface Area:
98.88
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
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