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ALA4528633 Name:
[4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]-N
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Mol. Formula:
C25H25N3O4
M.W.:
431.49
Type:
Unknown
AlogP:
5.03
Polar Surface Area:
87.74
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4564143 Name:
[4-[[4-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]-N
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Mol. Formula:
C25H25N3O4
M.W.:
431.49
Type:
Unknown
AlogP:
5.03
Polar Surface Area:
87.74
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4083997 Name:
(S)-(1-((4-ethoxyphenoxy)methyl)-6-isopropoxy-3,4-
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Mol. Formula:
C28H30FNO4
M.W.:
463.55
Type:
Small molecule
AlogP:
5.83
Polar Surface Area:
48.00
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA3742066 Name:
(rac)-ethyl 2-(2-(2-imino-4-oxothiazolidin-5-yl)ac
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Mol. Formula:
C13H15N3O4S2
M.W.:
341.41
Type:
Small molecule
AlogP:
1.73
Polar Surface Area:
108.35
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA3237303 Name:
Methyl 4-(3-Acetyl-4-hydroxy-5-oxo-1-phenethyl-2,5
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Mol. Formula:
C22H21NO5
M.W.:
379.41
Type:
Small molecule
AlogP:
3.00
Polar Surface Area:
83.91
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3237302 Name:
Methyl 4-(3-Acetyl-4-(acryloyloxy)-1-(2-(2-methyl-
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Mol. Formula:
C28H26N2O6
M.W.:
486.52
Type:
Small molecule
AlogP:
3.96
Polar Surface Area:
105.77
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3237301 Name:
Methyl 4-(3-Acetyl-4-(butyryloxy)-1-(2-(2-methyl-1
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Mol. Formula:
C29H30N2O6
M.W.:
502.57
Type:
Small molecule
AlogP:
4.58
Polar Surface Area:
105.77
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3237300 Name:
Methyl 4-(1-(2-(1H-Indol-3-yl)ethyl)-4-acetoxy-3-a
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Mol. Formula:
C26H24N2O6
M.W.:
460.49
Type:
Small molecule
AlogP:
3.49
Polar Surface Area:
105.77
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA3237299 Name:
Methyl 4-(1-(2-(1H-Indol-3-yl)ethyl)-3-acetyl-4-am
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Mol. Formula:
C24H23N3O4
M.W.:
417.47
Type:
Small molecule
AlogP:
2.88
Polar Surface Area:
105.49
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA3237298 Name:
Methyl 4-(1-(2-(1H-Indol-3-yl)ethyl)-3-acetyl-4-me
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Mol. Formula:
C25H24N2O5
M.W.:
432.48
Type:
Small molecule
AlogP:
3.57
Polar Surface Area:
88.70
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3237297 Name:
Methyl 4-(1-(3-(1H-Indol-3-yl)propyl)-4-hydroxy-3-
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Mol. Formula:
C29H25N3O5
M.W.:
495.54
Type:
Small molecule
AlogP:
4.56
Polar Surface Area:
112.59
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA3237296 Name:
Methyl 4-(1-((1H-Indol-3-yl)methyl)-4-hydroxy-3-is
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Mol. Formula:
C27H21N3O5
M.W.:
467.48
Type:
Small molecule
AlogP:
4.13
Polar Surface Area:
112.59
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA3237295 Name:
Ethyl 4-(1-(2-(1H-Indol-3-yl)ethyl)-3-acetyl-4-hyd
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Mol. Formula:
C25H24N2O6
M.W.:
448.48
Type:
Small molecule
AlogP:
3.58
Polar Surface Area:
119.93
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3237294 Name:
Ethyl 4-(3-Acetyl-4-hydroxy-1-(2-(2-methyl-1H-indo
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Mol. Formula:
C26H26N2O5
M.W.:
446.50
Type:
Small molecule
AlogP:
4.18
Polar Surface Area:
99.70
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3237293 Name:
Methyl 4-(4-Hydroxy-1-(2-(2-methyl-1H-indol-3-yl)e
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Mol. Formula:
C29H25N3O5
M.W.:
495.54
Type:
Small molecule
AlogP:
4.48
Polar Surface Area:
112.59
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA3237292 Name:
Ethyl 4-(1-(2-(1H-Indol-3-yl)ethyl)-4-hydroxy-3-is
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Mol. Formula:
C29H25N3O5
M.W.:
495.54
Type:
Small molecule
AlogP:
4.56
Polar Surface Area:
112.59
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA3237291 Name:
Ethyl 4-(1-(2-(1H-Indol-3-yl)ethyl)-4-hydroxy-3-ni
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Mol. Formula:
C29H25N3O5
M.W.:
495.54
Type:
Small molecule
AlogP:
4.56
Polar Surface Area:
112.59
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA3237290 Name:
Methyl 4-(3-Acetyl-4-hydroxy-1-(2-(7-methyl-1H-ind
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Mol. Formula:
C25H24N2O5
M.W.:
432.48
Type:
Small molecule
AlogP:
3.79
Polar Surface Area:
99.70
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3237289 Name:
Methyl 4-(1-(2-(7-Chloro-1H-indol-3-yl)ethyl)-4-hy
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Mol. Formula:
C28H22ClN3O5
M.W.:
515.95
Type:
Small molecule
AlogP:
4.82
Polar Surface Area:
112.59
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA3237288 Name:
Methyl 4-(1-(2-(7-Fluoro-1H-indol-3-yl)ethyl)-4-hy
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Mol. Formula:
C28H22FN3O5
M.W.:
499.50
Type:
Small molecule
AlogP:
4.31
Polar Surface Area:
112.59
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
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