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ALA5279007 Name:
(E)-4-(2-(3-(8-(tert-butyl)-3,3-dimethyl-3,11-dihy
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Mol. Formula:
C34H34N4O7S
M.W.:
642.73
Type:
---
AlogP:
5.47
Polar Surface Area:
150.46
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5206960 Name:
5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluoro-N-(1
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Mol. Formula:
C23H25FN4O3
M.W.:
424.48
Type:
---
AlogP:
2.09
Polar Surface Area:
87.20
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA5093809 Name:
Mol. Formula:
C172H291N51O43
M.W.:
3761.53
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5084880 Name:
Mol. Formula:
C186H317N51O44
M.W.:
3971.89
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5072073 Name:
Mol. Formula:
C188H321N51O44
M.W.:
3999.95
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4533690 Name:
N-(1-(cyclopropylmethyl)pyrrolidin-3-yl)-5-((2,4-d
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Mol. Formula:
C24H25FN4O3
M.W.:
436.49
Type:
Unknown
AlogP:
2.09
Polar Surface Area:
87.20
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4088597 Name:
4-(2-((2,2-difluorocyclopropyl)methoxy)-5-(ethylsu
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Mol. Formula:
C25H27F2N3O4S
M.W.:
503.57
Type:
Small molecule
AlogP:
3.27
Polar Surface Area:
84.40
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4088536 Name:
5-(5-amino-2-phenoxyphenyl)-2-methyl-1H-pyrrole-3-
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Mol. Formula:
C18H17N3O2
M.W.:
307.35
Type:
Small molecule
AlogP:
3.46
Polar Surface Area:
94.13
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4088466 Name:
3-(2-(2,4-difluorophenoxy)-5-(methylsulfonyl)pheny
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Mol. Formula:
C21H16F2N2O4S
M.W.:
430.43
Type:
Small molecule
AlogP:
4.01
Polar Surface Area:
81.16
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4087079 Name:
N-(3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-pyrrolo
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Mol. Formula:
C21H21N3O4S
M.W.:
411.48
Type:
Small molecule
AlogP:
3.44
Polar Surface Area:
100.29
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4644702 Name:
4-[[4-fluoro-3-[4-oxo-3,5-bis[(3,4,5-trimethoxyphe
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Mol. Formula:
C41H38FN3O9
M.W.:
735.77
Type:
Unknown
AlogP:
5.90
Polar Surface Area:
138.51
HBA:
10
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4641110 Name:
4-[[3-[3,5-bis[(2-hydroxyphenyl)methylene]-4-oxo-p
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Mol. Formula:
C35H26FN3O5
M.W.:
587.61
Type:
Unknown
AlogP:
5.26
Polar Surface Area:
123.59
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4638613 Name:
4-[[3-[3,5-bis[(2-fluorophenyl)methylene]-4-oxo-pi
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Mol. Formula:
C35H24F3N3O3
M.W.:
591.59
Type:
Unknown
AlogP:
6.12
Polar Surface Area:
83.13
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4637764 Name:
4-[[3-[3,5-bis(1,3-benzodioxol-5-ylmethylene)-4-ox
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Mol. Formula:
C37H26FN3O7
M.W.:
643.63
Type:
Unknown
AlogP:
5.30
Polar Surface Area:
120.05
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4635552 Name:
4-[[4-fluoro-3-(4-oxopiperidine-1-carbonyl)phenyl]
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Mol. Formula:
C21H18FN3O3
M.W.:
379.39
Type:
Unknown
AlogP:
2.46
Polar Surface Area:
83.13
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4635375 Name:
4-[[3-[3,5-bis[(4-fluorophenyl)methylene]-4-oxo-pi
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Mol. Formula:
C35H24F3N3O3
M.W.:
591.59
Type:
Unknown
AlogP:
6.12
Polar Surface Area:
83.13
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4080820 Name:
5-(2-amino-6-phenoxyphenyl)-2-methyl-1H-pyrrole-3-
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Mol. Formula:
C18H17N3O2
M.W.:
307.35
Type:
Small molecule
AlogP:
3.46
Polar Surface Area:
94.13
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4080682 Name:
N-(3-(5-methyl-4-oxo-4,6-dihydro-3H-pyrrolo[3,4-d]
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Mol. Formula:
C20H18N4O4S
M.W.:
410.46
Type:
Small molecule
AlogP:
3.39
Polar Surface Area:
116.94
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4080666 Name:
methyl 3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-iso
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Mol. Formula:
C23H21NO4
M.W.:
375.42
Type:
Small molecule
AlogP:
5.09
Polar Surface Area:
68.39
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4068988 Name:
3-methyl-1-(2-phenoxyphenyl)-6,7-dihydro-2H-isoind
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Mol. Formula:
C21H19NO2
M.W.:
317.39
Type:
Small molecule
AlogP:
5.30
Polar Surface Area:
42.09
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
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