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ALA4576324 Name:
3,5-dichloro-N-[(3R)-3-(3,4-dichlorophenyl)-2-meth
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Mol. Formula:
C33H43Cl4N5O3
M.W.:
699.55
Type:
Unknown
AlogP:
6.86
Polar Surface Area:
77.48
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4750714 Name:
N-((4S,7S,10R,13S,16S,19S,22S,28S,31S,34R,37S,40S,
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Mol. Formula:
C116H198N22O19S3
M.W.:
2301.20
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4794099 Name:
(6S,9S,12S,15R,18S,21S,24S,27S,33S,36S,39S,42S)-42
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Mol. Formula:
C169H283N39O32S2
M.W.:
3437.50
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5278537 Name:
[3,5-bis(trifluoromethyl)phenyl]methyl (3S)-2-[(2S
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Mol. Formula:
C37H36F6N4O6
M.W.:
746.70
Type:
---
AlogP:
6.66
Polar Surface Area:
129.83
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA5286807 Name:
(3S,5S,10S)-10-(4-fluorophenyl)-3-(2-(trifluoromet
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Mol. Formula:
C20H19F4NO2
M.W.:
381.37
Type:
---
AlogP:
4.41
Polar Surface Area:
30.49
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5286117 Name:
[3,5-bis(trifluoromethyl)phenyl]methyl (3S)-2-acet
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Mol. Formula:
C23H18F6N2O3
M.W.:
484.40
Type:
---
AlogP:
5.22
Polar Surface Area:
62.40
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5285318 Name:
1-(4-(((5S,6S,9S)-5-(4-fluorophenyl)-9-(2-(trifluo
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Mol. Formula:
C27H31F4N5O3
M.W.:
549.57
Type:
---
AlogP:
4.77
Polar Surface Area:
75.74
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5284869 Name:
1-(4-(((5S,6S,9S)-5-(4-fluorophenyl)-9-(2-(trifluo
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Mol. Formula:
C27H31F4N5O2
M.W.:
533.57
Type:
---
AlogP:
4.89
Polar Surface Area:
66.51
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5290533 Name:
(3S,5S,10S)-10-(4-fluorophenyl)-3-((R)-2-methoxy-6
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Mol. Formula:
C22H21F4N5O3
M.W.:
479.43
Type:
---
AlogP:
3.39
Polar Surface Area:
83.32
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5283681 Name:
(5S,6R,9R)-5-(4-fluorophenyl)-9-[2-(trifluoromethy
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Mol. Formula:
C21H21F4NO2
M.W.:
395.40
Type:
---
AlogP:
4.80
Polar Surface Area:
30.49
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5291459 Name:
(5S,6S,9S)-5-(4-fluorophenyl)-9-(2-(trifluoromethy
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Mol. Formula:
C21H21F4NO2
M.W.:
395.40
Type:
---
AlogP:
4.80
Polar Surface Area:
30.49
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5273129 Name:
(5S,6R,9S)-5-(4-fluorophenyl)-9-[2-(trifluoromethy
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Mol. Formula:
C21H21F4NO2
M.W.:
395.40
Type:
---
AlogP:
4.80
Polar Surface Area:
30.49
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5271987 Name:
[3,5-bis(trifluoromethyl)phenyl]methyl 3-[[(2S)-2-
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Mol. Formula:
C37H37F6N5O6
M.W.:
761.72
Type:
---
AlogP:
6.23
Polar Surface Area:
150.65
HBA:
7
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5268226 Name:
(5S,6S,9R)-5-(4-fluorophenyl)-9-[2-(trifluoromethy
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Mol. Formula:
C21H21F4NO2
M.W.:
395.40
Type:
---
AlogP:
4.80
Polar Surface Area:
30.49
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5266880 Name:
[3,5-bis(trifluoromethyl)phenyl]methyl 3-acetamido
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Mol. Formula:
C24H20F6N2O3
M.W.:
498.42
Type:
---
AlogP:
5.31
Polar Surface Area:
71.19
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4299402 Name:
(S)-1-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxy-2
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Mol. Formula:
C56H64F6IN9O8
M.W.:
1232.08
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4218932 Name:
rac-2-Amino-3-cyano-4-p-nitrophenyl-6-(2-pyridyl)-
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Mol. Formula:
C23H16N4O4S
M.W.:
444.47
Type:
Small molecule
AlogP:
3.97
Polar Surface Area:
138.13
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4218818 Name:
(Ss,Rc)-2-Amino-3-cyano-4-p-chloroyphenyl-6-(2-pyr
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Mol. Formula:
C24H18ClN3O2S
M.W.:
447.95
Type:
Small molecule
AlogP:
5.03
Polar Surface Area:
94.99
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4218416 Name:
rac-2-Amino-3-cyano-4-phenyl-6-(2-pyridyl)-5-pheny
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Mol. Formula:
C23H17N3O2S
M.W.:
399.48
Type:
Small molecule
AlogP:
4.07
Polar Surface Area:
94.99
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4218287 Name:
(Ss,Rc)-2-Amino-3-cyano-4-p-tolyl-6-(2-pyridyl)-5-
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Mol. Formula:
C25H21N3O2S
M.W.:
427.53
Type:
Small molecule
AlogP:
4.68
Polar Surface Area:
94.99
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
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