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ALA5282345 Name:
2-((5-(2-(3,4-dimethoxyphenyl)propan-2-yl)-1-(4-fl
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Mol. Formula:
C28H31FN4O2S
M.W.:
506.65
Type:
---
AlogP:
5.63
Polar Surface Area:
61.20
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA5279619 Name:
(3,4-dihydroquinolin-1(2H)-yl)(2-(3-(trifluorometh
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Mol. Formula:
C22H17F3N2O2
M.W.:
398.38
Type:
---
AlogP:
5.49
Polar Surface Area:
42.43
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5275304 Name:
N-[(3S)-1-[7-(but-2-yn-1-yl)-3-methyl-1-[(4-methyl
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Mol. Formula:
C67H80Cl2N12O12
M.W.:
1316.35
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5270240 Name:
3-((4-bromobenzyl)amino)-2-(4-fluorophenyl)quinazo
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Mol. Formula:
C21H15BrFN3O
M.W.:
424.27
Type:
---
AlogP:
4.71
Polar Surface Area:
46.92
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4092785 Name:
(S*)-2-((2-chloro-6-fluorobenzyl)thio)-7-(3,4-dime
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Mol. Formula:
C28H25ClF2N2O2S
M.W.:
527.04
Type:
Small molecule
AlogP:
7.58
Polar Surface Area:
36.28
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4092629 Name:
3-(2,6-difluorobenzylthio)-5-(3,4-dimethoxybenzyl)
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Mol. Formula:
C24H20F3N3O2S
M.W.:
471.50
Type:
Small molecule
AlogP:
5.58
Polar Surface Area:
49.17
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4092628 Name:
2-[[(2-bromo-6-fluorophenyl)methyl]sulfanyl]-7-(4-
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Mol. Formula:
C27H22BrClF2N2OS
M.W.:
575.91
Type:
Small molecule
AlogP:
8.34
Polar Surface Area:
27.05
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4092168 Name:
2-((2-chloro-6-fluorobenzyl)thio)-1-(4-fluoropheny
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Mol. Formula:
C27H23ClF2N2OS
M.W.:
497.01
Type:
Small molecule
AlogP:
7.57
Polar Surface Area:
27.05
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4091882 Name:
7-(4-chloro-3-methoxyphenyl)-2-(2-chloro-6-fluorob
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Mol. Formula:
C28H23Cl2F3N2OS
M.W.:
563.47
Type:
Small molecule
AlogP:
8.35
Polar Surface Area:
27.05
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4091702 Name:
[2-(2,6-Difluoro-benzylsulfanyl)-3-(4-fluoro-pheny
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Mol. Formula:
C24H20F3N3OS
M.W.:
455.51
Type:
Small molecule
AlogP:
6.36
Polar Surface Area:
30.29
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4091129 Name:
2-(2-chloro-6-fluorobenzylthio)-7-(4-chloro-3-meth
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Mol. Formula:
C28H24Cl2F2N2OS
M.W.:
545.48
Type:
Small molecule
AlogP:
8.53
Polar Surface Area:
27.05
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4090586 Name:
3-[2-[(2,6-Difluorophenyl)methylsulfanyl]-5-(3,4-d
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Mol. Formula:
C28H26F3N3O4S
M.W.:
557.59
Type:
Small molecule
AlogP:
6.38
Polar Surface Area:
76.82
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4090147 Name:
[2-(2,6-Difluoro-benzylsulfanyl)-3-(3-chloro-4-flu
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Mol. Formula:
C25H21ClF3N3O2S
M.W.:
519.98
Type:
Small molecule
AlogP:
7.02
Polar Surface Area:
39.52
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4089352 Name:
4-(((7-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-7-
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Mol. Formula:
C38H44F3N3O7S
M.W.:
743.85
Type:
Small molecule
AlogP:
6.01
Polar Surface Area:
113.30
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4088938 Name:
[2-(2,6-Difluoro-benzylsulfanyl)-3-(4-fluoro-pheny
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Mol. Formula:
C23H16Cl2F3N3S
M.W.:
494.37
Type:
Small molecule
AlogP:
7.66
Polar Surface Area:
21.06
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4088541 Name:
4-(((7-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-7-
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Mol. Formula:
C30H27F3N2O4S
M.W.:
568.62
Type:
Small molecule
AlogP:
6.94
Polar Surface Area:
73.58
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4087791 Name:
7-(4-chloro-3-methoxyphenyl)-2-[[(2-chloro-6-fluor
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Mol. Formula:
C27H21Cl2F3N2OS
M.W.:
549.45
Type:
Small molecule
AlogP:
8.37
Polar Surface Area:
27.05
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4087611 Name:
2-[3-[4-[[5-(3,4-Dimethoxy-N-methyl-anilino)-1-(4-
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Mol. Formula:
C32H43F3N6O9S3
M.W.:
808.92
Type:
Small molecule
AlogP:
5.21
Polar Surface Area:
160.73
HBA:
12
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4087370 Name:
7-(4-chloro-3-methoxyphenyl)-2-[[(2-fluoro-6-nitro
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Mol. Formula:
C27H22ClF2N3O3S
M.W.:
542.01
Type:
Small molecule
AlogP:
7.48
Polar Surface Area:
70.19
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4086463 Name:
(3-{4-[5-[(3,4-Dimethoxy-phenyl)-methylamino]-1-(4
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Mol. Formula:
C31H32F3IN4O2S
M.W.:
708.59
Type:
Small molecule
AlogP:
6.42
Polar Surface Area:
39.52
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
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