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ALA4533836 Name:
3-[(1S,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-a
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Mol. Formula:
C54H74BrO4P
M.W.:
898.06
Type:
Unknown
AlogP:
11.83
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4572117 Name:
3-[(1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-a
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Mol. Formula:
C54H74BrO4P
M.W.:
898.06
Type:
Unknown
AlogP:
11.83
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5282169 Name:
ethyl 2-[(2E)-2-(3-methyl-5-oxo-1H-pyrazol-4-ylide
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Mol. Formula:
C15H18N4O3S
M.W.:
334.40
Type:
---
AlogP:
2.08
Polar Surface Area:
92.15
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5281774 Name:
2-[(2E)-2-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)hyd
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Mol. Formula:
C13H13N5OS
M.W.:
287.35
Type:
---
AlogP:
1.77
Polar Surface Area:
89.64
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA5280355 Name:
2-amino-3-(3-ethylphenyl)-4,5-dioxo-3,5-dihydro-4H
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Mol. Formula:
C25H17N3O3
M.W.:
407.43
Type:
---
AlogP:
4.27
Polar Surface Area:
102.02
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5279370 Name:
2-amino-3-(2-ethylphenyl)-4,5-dioxo-3,5-dihydro-4H
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Mol. Formula:
C25H17N3O3
M.W.:
407.43
Type:
---
AlogP:
4.27
Polar Surface Area:
102.02
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5286622 Name:
2-[(2E)-2-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)hyd
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Mol. Formula:
C13H15N5O2S
M.W.:
305.36
Type:
---
AlogP:
1.00
Polar Surface Area:
108.94
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5289823 Name:
Mol. Formula:
C36H54N4O9
M.W.:
686.85
Type:
---
AlogP:
2.37
Polar Surface Area:
158.96
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5289422 Name:
ethyl 2-[(2E)-2-(3-amino-5-oxo-1H-pyrazol-4-yliden
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Mol. Formula:
C14H17N5O3S
M.W.:
335.39
Type:
---
AlogP:
0.97
Polar Surface Area:
118.17
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5288082 Name:
(3R,3'R,5aS,5a'S,6R,6'R,8aS,8a'S,9R,9'R,10S,10'S,1
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Mol. Formula:
C30H46O9
M.W.:
550.69
Type:
---
AlogP:
5.42
Polar Surface Area:
83.07
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4462284 Name:
2-(2-(4-benzyl-1-oxophthalazin-2(1H)-yl)acetyl)-N-
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Mol. Formula:
C24H21N5O2S
M.W.:
443.53
Type:
Unknown
AlogP:
3.01
Polar Surface Area:
88.05
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4097752 Name:
(E)-1,5-dimethyl-4-((2-methyl-7-phenylpyrazolo[1,5
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Mol. Formula:
C24H21N7O
M.W.:
423.48
Type:
Small molecule
AlogP:
4.92
Polar Surface Area:
81.84
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4470761 Name:
3-[(1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-a
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Mol. Formula:
C60H78IO4P
M.W.:
1021.16
Type:
Unknown
AlogP:
13.40
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4084756 Name:
5,7-dimethyl-N-phenyl-2-(phenylamino)pyrazolo[1,5-
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Mol. Formula:
C21H19N5O
M.W.:
357.42
Type:
Small molecule
AlogP:
4.34
Polar Surface Area:
71.32
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4063103 Name:
5-amino-N-(4-chlorophenyl)-6-cyano-2-(4-methoxyben
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Mol. Formula:
C29H23ClN6O3
M.W.:
539.00
Type:
Small molecule
AlogP:
5.36
Polar Surface Area:
127.56
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5283850 Name:
3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-methylquina
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Mol. Formula:
C11H8N4OS2
M.W.:
276.35
Type:
---
AlogP:
1.83
Polar Surface Area:
60.67
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5274561 Name:
2-[(2E)-2-(3-amino-5-oxo-1H-pyrazol-4-ylidene)hydr
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Mol. Formula:
C12H14N6O2S
M.W.:
306.35
Type:
---
AlogP:
-0.10
Polar Surface Area:
134.96
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5272282 Name:
(3R,5aS,6R,8aS,9R,10S,12S,12aR)-3,6,9-trimethyl-10
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Mol. Formula:
C30H46O9
M.W.:
550.69
Type:
---
AlogP:
5.42
Polar Surface Area:
83.07
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5268292 Name:
3-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl
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Mol. Formula:
C10H12N6O2S
M.W.:
280.31
Type:
---
AlogP:
0.04
Polar Surface Area:
118.95
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5267436 Name:
2-[(2E)-2-(3-amino-5-oxo-1H-pyrazol-4-ylidene)hydr
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Mol. Formula:
C12H12N6OS
M.W.:
288.34
Type:
---
AlogP:
0.67
Polar Surface Area:
115.66
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
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