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ALA4099425 Name:
4-(3-chlorophenyl)-8-fluoro-3-(4-fluorophenylsulfo
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Mol. Formula:
C21H12ClF2NO2S
M.W.:
415.85
Type:
Small molecule
AlogP:
5.67
Polar Surface Area:
47.03
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4099255 Name:
(S)-1,1,1,3,3,3-Hexafluoropropan-2-yl-7-((2)H3)-me
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Mol. Formula:
C19H15F6N3O4
M.W.:
466.35
Type:
Small molecule
AlogP:
3.82
Polar Surface Area:
73.66
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4099244 Name:
N-(1H-Benzo[d]imidazol-2-yl)-5-isopropylisoxazole-
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Mol. Formula:
C14H14N4O2
M.W.:
270.29
Type:
Small molecule
AlogP:
2.93
Polar Surface Area:
83.81
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4099187 Name:
4-((1-((R)-1-(difluoromethoxy)propan-2-yl)-7-(3,5-
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Mol. Formula:
C25H29F2N5O4
M.W.:
501.53
Type:
Small molecule
AlogP:
4.50
Polar Surface Area:
87.67
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4099115 Name:
1-[2-(2-Fluorophenyl)-4-(4-methoxybenzyl)-4H-thien
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Mol. Formula:
C30H32FN3O3S
M.W.:
533.67
Type:
Small molecule
AlogP:
5.94
Polar Surface Area:
63.57
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4099016 Name:
3-(3,5-difluorophenylsulfonyl)-7-fluoro-4-(3-metho
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Mol. Formula:
C22H14F3NO3S
M.W.:
429.42
Type:
Small molecule
AlogP:
5.16
Polar Surface Area:
56.26
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4098908 Name:
Ethyl 5-((1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)
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Mol. Formula:
C21H17N3O4
M.W.:
375.38
Type:
Small molecule
AlogP:
3.31
Polar Surface Area:
93.31
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4098685 Name:
[14C]-6-tert-butyl-2-(2-(hydroxymethyl)-3-(1-methy
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Mol. Formula:
C36H39N5O5
M.W.:
623.73
Type:
Small molecule
AlogP:
4.66
Polar Surface Area:
117.00
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4098316 Name:
7-fluoro-4-(3-fluorophenyl)-3-(4-fluorophenylsulfo
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Mol. Formula:
C21H12F3NO2S
M.W.:
399.39
Type:
Small molecule
AlogP:
5.15
Polar Surface Area:
47.03
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4097976 Name:
2-(2-Cyclohexyl-2-cyclopentylethyl)piperidine
Mol. Formula:
C18H33N
M.W.:
263.47
Type:
Small molecule
AlogP:
4.91
Polar Surface Area:
12.03
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4097970 Name:
1-(2-Chloro-3'-fluoro-5-methoxy-[1,1'-biphenyl]-4-
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Mol. Formula:
C25H18ClFN4O5S
M.W.:
540.96
Type:
Small molecule
AlogP:
4.86
Polar Surface Area:
116.32
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4097813 Name:
7-fluoro-4-(4-fluorophenyl)-3-(3-fluorophenylsulfo
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Mol. Formula:
C21H12F3NO2S
M.W.:
399.39
Type:
Small molecule
AlogP:
5.15
Polar Surface Area:
47.03
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4097665 Name:
7-methoxy-2-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1
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Mol. Formula:
C17H14N4O3
M.W.:
322.32
Type:
Small molecule
AlogP:
2.23
Polar Surface Area:
82.03
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4097662 Name:
7-fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenylsul
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Mol. Formula:
C23H18FNO4S
M.W.:
423.47
Type:
Small molecule
AlogP:
4.89
Polar Surface Area:
65.49
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4097557 Name:
2-(2-Cyclohexyl-2-(tetrahydro-2H-pyran-4-yl)ethyl)
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Mol. Formula:
C18H33NO
M.W.:
279.47
Type:
Small molecule
AlogP:
4.14
Polar Surface Area:
21.26
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4097400 Name:
3-(7-fluoro-4-(3-fluorophenyl)quinolin-3-ylsulfony
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Mol. Formula:
C22H12F2N2O2S
M.W.:
406.41
Type:
Small molecule
AlogP:
4.88
Polar Surface Area:
70.82
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4097363 Name:
5-[5-(Azidomethyl)-1,3,4-oxadiazol-2-yl]-2-benzylt
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Mol. Formula:
C16H13ClN6O3S2
M.W.:
436.91
Type:
Small molecule
AlogP:
4.14
Polar Surface Area:
147.84
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4097204 Name:
6-tert-butyl-8-fluoro-2-(3-(hydroxymethyl)-4-(1-me
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Mol. Formula:
C30H29FN6O5S
M.W.:
604.66
Type:
Small molecule
AlogP:
3.62
Polar Surface Area:
149.07
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4097199 Name:
2-Benzylthio-4-chloro-5-{5-[(4-phenylpiperazin-1-y
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Mol. Formula:
C26H26ClN5O3S2
M.W.:
556.11
Type:
Small molecule
AlogP:
4.65
Polar Surface Area:
105.56
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
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