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ALA1096312 Name:
(S)-6-amino-N-((S)-36-amino-1-(4-(3-((5-((5-tert-b
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Mol. Formula:
C85H130N16O14S
M.W.:
1632.14
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1077255 Name:
N-(4-(3-((5-((5-tert-butyloxazol-4-yl)methylene)-3
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Mol. Formula:
C49H62N8O8S
M.W.:
923.15
Type:
Small molecule
AlogP:
3.93
Polar Surface Area:
237.25
HBA:
10
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA5197695 Name:
(8S,9S,13S,14S)-17-(5-chloropyridin-3-yl)-2-methox
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Mol. Formula:
C24H27ClN2O4S
M.W.:
475.01
Type:
---
AlogP:
4.88
Polar Surface Area:
91.51
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5195501 Name:
(8S,9S,13S,14S)-17-(2-chloropyridin-4-yl)-2-methox
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Mol. Formula:
C24H27ClN2O4S
M.W.:
475.01
Type:
---
AlogP:
4.88
Polar Surface Area:
91.51
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4578017 Name:
N-(3-chlorophenyl)-2-[4-(4-oxo-3,4-dihydroquinazol
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Mol. Formula:
C22H16ClN3O3
M.W.:
405.84
Type:
Unknown
AlogP:
4.26
Polar Surface Area:
84.08
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4464516 Name:
NA
Mol. Formula:
C62H67N3O20
M.W.:
1174.22
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3780099 Name:
2-(6-Fluoro-3-((4-methoxybenzyl)amino)imidazo[1,2-
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Cas Number:
1885900-35-5
Mol. Formula:
C21H18FN3O2
M.W.:
363.39
Type:
Small molecule
AlogP:
4.47
Polar Surface Area:
58.79
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA3780828 Name:
2-(3-((4-Methoxybenzyl)amino)imidazo[1,2-a]pyridin
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Mol. Formula:
C21H19N3O2
M.W.:
345.40
Type:
Small molecule
AlogP:
4.33
Polar Surface Area:
58.79
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3629731 Name:
2-((2R,4S)-4-((2S,3S)-N,3-Dimethyl-2-((R)-1-methyl
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Mol. Formula:
C31H45N5O4S
M.W.:
583.80
Type:
Small molecule
AlogP:
3.81
Polar Surface Area:
103.87
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA3629730 Name:
N-Isopropyl-2-((2S,4S)-4-((2S,3S)-3-methyl-2-((R)-
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Mol. Formula:
C25H41N5O4S
M.W.:
507.70
Type:
Small molecule
AlogP:
2.63
Polar Surface Area:
112.66
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3629729 Name:
2-((2S,4S)-4-((2S,3S)-3-Methyl-2-((R)-1-methylpipe
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Mol. Formula:
C30H43N5O4S
M.W.:
569.77
Type:
Small molecule
AlogP:
3.47
Polar Surface Area:
112.66
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3629728 Name:
N-Isopropyl-2-((2S,4R)-4-((2S,3S)-3-methyl-2-((R)-
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Mol. Formula:
C25H41N5O4S
M.W.:
507.70
Type:
Small molecule
AlogP:
2.63
Polar Surface Area:
112.66
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3629727 Name:
2-((2S,4R)-4-((2S,3S)-3-Methyl-2-((R)-1-methylpipe
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Mol. Formula:
C30H43N5O4S
M.W.:
569.77
Type:
Small molecule
AlogP:
3.47
Polar Surface Area:
112.66
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3629726 Name:
N-Isopropyl-2-((2R,4R)-4-((2S,3S)-3-methyl-2-((R)-
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Mol. Formula:
C25H41N5O4S
M.W.:
507.70
Type:
Small molecule
AlogP:
2.63
Polar Surface Area:
112.66
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3629725 Name:
2-((2R,4R)-4-((2S,3S)-3-Methyl-2-((R)-1-methylpipe
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Mol. Formula:
C30H43N5O4S
M.W.:
569.77
Type:
Small molecule
AlogP:
3.47
Polar Surface Area:
112.66
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3629724 Name:
N-Isopropyl-2-((2R,4S)-4-((2S,3S)-3-methyl-2-((R)-
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Mol. Formula:
C25H41N5O4S
M.W.:
507.70
Type:
Small molecule
AlogP:
2.63
Polar Surface Area:
112.66
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3629723 Name:
2-((2R,4S)-4-((2S,3S)-3-Methyl-2-((R)-1-methylpipe
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Mol. Formula:
C30H43N5O4S
M.W.:
569.77
Type:
Small molecule
AlogP:
3.47
Polar Surface Area:
112.66
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3628395 Name:
2-((2R,4S)-4-((2S,3S)-2-(2-(Dimethylamino)acetamid
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Mol. Formula:
C22H37N5O4S
M.W.:
467.64
Type:
Small molecule
AlogP:
1.71
Polar Surface Area:
112.66
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3628394 Name:
2-((2R,4S)-4-((2S,3S)-2-(2-(Dimethylamino)acetamid
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Mol. Formula:
C27H39N5O4S
M.W.:
529.71
Type:
Small molecule
AlogP:
2.54
Polar Surface Area:
112.66
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA3628393 Name:
2-((2R,4S)-4-((2S,3S)-2-(Dimethylamino)-3-methylpe
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Mol. Formula:
C20H34N4O3S
M.W.:
410.58
Type:
Small molecule
AlogP:
2.59
Polar Surface Area:
83.56
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
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