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ALA5278498 Name:
5-(2,4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-(4-(
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Mol. Formula:
C27H32N2O5
M.W.:
464.56
Type:
---
AlogP:
4.73
Polar Surface Area:
95.17
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4103728 Name:
2-(4-(4-(1,3-dioxo-hexahydro-1H-isoindol-2(3H)-yl)
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Mol. Formula:
C28H28N2O6S
M.W.:
520.61
Type:
Small molecule
AlogP:
3.88
Polar Surface Area:
108.90
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4102072 Name:
2-(3-(4-(3-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoi
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Mol. Formula:
C26H36N4O4
M.W.:
468.60
Type:
Small molecule
AlogP:
1.29
Polar Surface Area:
81.24
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4102005 Name:
1-(2-(2,6-dioxopiperazin-1-yl)ethyl)piperazine-2,6
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Mol. Formula:
C10H14N4O4
M.W.:
254.25
Type:
Small molecule
AlogP:
-3.10
Polar Surface Area:
98.82
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4091722 Name:
1-(3-(4-(3-(2,6-dioxopiperazin-1-yl)propyl)piperaz
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Mol. Formula:
C18H30N6O4
M.W.:
394.48
Type:
Small molecule
AlogP:
-2.70
Polar Surface Area:
105.30
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4087430 Name:
1-(2-(2,6-dioxopiperazin-1-yl)propyl)piperazine-2,
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Mol. Formula:
C11H16N4O4
M.W.:
268.27
Type:
Small molecule
AlogP:
-2.71
Polar Surface Area:
98.82
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4086622 Name:
6-(2-(5,7-dioxo-5H-pyrrolo[3,4-b]pyrazin-6(7H)-yl)
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Mol. Formula:
C14H8N6O4
M.W.:
324.26
Type:
Small molecule
AlogP:
-0.84
Polar Surface Area:
126.32
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4070780 Name:
2-(3-(4-(3-(1,3-dioxo-hexahydro-1H-isoindol-2(3H)-
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Mol. Formula:
C26H40N4O4
M.W.:
472.63
Type:
Small molecule
AlogP:
1.73
Polar Surface Area:
81.24
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4060286 Name:
2-(4-(4-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindo
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Mol. Formula:
C28H24N2O6S
M.W.:
516.58
Type:
Small molecule
AlogP:
3.43
Polar Surface Area:
108.90
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4059502 Name:
2-(3-(9-(3-(1,3-dioxo-hexahydro-1H-isoindol-2(3H)-
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Mol. Formula:
C29H42N2O8
M.W.:
546.66
Type:
Small molecule
AlogP:
2.63
Polar Surface Area:
111.68
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4083886 Name:
2-(2-(2-(2-(1,3-dioxo-hexahydro-1H-isoindol-2(3H)-
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Mol. Formula:
C22H32N2O6
M.W.:
420.51
Type:
Small molecule
AlogP:
1.37
Polar Surface Area:
93.22
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4076713 Name:
2-(3-(9-(3-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoi
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Mol. Formula:
C29H38N2O8
M.W.:
542.63
Type:
Small molecule
AlogP:
2.18
Polar Surface Area:
111.68
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4076601 Name:
1-(2-(2-(2-(2,6-dioxopiperazin-1-yl)ethoxy)ethoxy)
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Mol. Formula:
C14H22N4O6
M.W.:
342.35
Type:
Small molecule
AlogP:
-3.06
Polar Surface Area:
117.28
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4065194 Name:
1-(3-(2,6-dioxopiperazin-1-yl)propyl)piperazine-2,
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Mol. Formula:
C11H16N4O4
M.W.:
268.27
Type:
Small molecule
AlogP:
-2.71
Polar Surface Area:
98.82
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4074915 Name:
1-(3-(9-(3-(2,6-dioxopiperazin-1-yl)propyl)-(2,4,8
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Mol. Formula:
C21H32N4O8
M.W.:
468.51
Type:
Small molecule
AlogP:
-1.80
Polar Surface Area:
135.74
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4079481 Name:
2-(2-(2-(2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoi
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Mol. Formula:
C22H28N2O6
M.W.:
416.47
Type:
Small molecule
AlogP:
0.92
Polar Surface Area:
93.22
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA3792513 Name:
1-(3-Amino-4-methoxyphenyl)-4-methyl-[1,2,4]-triaz
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Mol. Formula:
C17H15N5O2
M.W.:
321.34
Type:
Small molecule
AlogP:
1.84
Polar Surface Area:
87.44
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3734914 Name:
3-Hydroxy-2-(2-mercaptopyrimidin-4-yl)-4-methyl-7,
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Mol. Formula:
C18H16N2O3S
M.W.:
340.40
Type:
Small molecule
AlogP:
3.43
Polar Surface Area:
76.22
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5209294 Name:
2-Ethynyl-N-(7-(hydroxyamino)-7-oxoheptyl)thiazole
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Mol. Formula:
C13H17N3O3S
M.W.:
295.36
Type:
---
AlogP:
1.31
Polar Surface Area:
91.32
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5208134 Name:
(2-ethynylthiazol-4-yl)-[4-(4-fluorophenyl)piperaz
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Mol. Formula:
C16H14FN3OS
M.W.:
315.37
Type:
---
AlogP:
2.23
Polar Surface Area:
36.44
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
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