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ALA4879049 Name:
7-Chloro-3-((4-hydroxy-1-(2-(4-(trifluoromethyl)ph
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Mol. Formula:
C23H21ClF3N3O3
M.W.:
479.89
Type:
Unknown
AlogP:
3.66
Polar Surface Area:
75.43
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4878033 Name:
3-((1-(3-bromobenzoyl)-4-hydroxypiperidin-4-yl)met
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Mol. Formula:
C21H19BrClN3O3
M.W.:
476.76
Type:
Unknown
AlogP:
3.48
Polar Surface Area:
75.43
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4872324 Name:
3-((1-benzoyl-4-hydroxypiperidin-4-yl)methyl)-7-ch
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Mol. Formula:
C21H20ClN3O3
M.W.:
397.86
Type:
Unknown
AlogP:
2.72
Polar Surface Area:
75.43
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4871556 Name:
7-((4-chlorobenzyl)amino)-3-((4-hydroxy-1-(3-pheny
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Mol. Formula:
C30H33ClN4O3
M.W.:
533.07
Type:
Unknown
AlogP:
4.90
Polar Surface Area:
88.40
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4870453 Name:
7-Chloro-3-((4-hydroxy-1-(4-nitrobenzoyl)piperidin
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Mol. Formula:
C21H19ClN4O5
M.W.:
442.86
Type:
Unknown
AlogP:
2.63
Polar Surface Area:
118.57
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4870123 Name:
7-((2-chlorobenzyl)amino)-3-((4-hydroxy-1-(3-pheny
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Mol. Formula:
C30H33ClN4O3
M.W.:
533.07
Type:
Unknown
AlogP:
4.90
Polar Surface Area:
88.40
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4869195 Name:
3-((1-(2-amino-4-bromobenzoyl)-4-hydroxypiperidin-
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Mol. Formula:
C21H20BrClN4O3
M.W.:
491.77
Type:
Unknown
AlogP:
3.06
Polar Surface Area:
101.45
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5287657 Name:
5-(6-amino-4-ethyl-5-(4-hydroxyphenyl)pyridin-3-yl
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Mol. Formula:
C20H17N3O2
M.W.:
331.38
Type:
---
AlogP:
3.84
Polar Surface Area:
103.16
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5287621 Name:
4-(2-amino-4-ethyl-5-(p-tolyl)pyridin-3-yl)phenol
Mol. Formula:
C20H20N2O
M.W.:
304.39
Type:
---
AlogP:
4.57
Polar Surface Area:
59.14
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5287604 Name:
2-((3,5-dichloropyridin-4-yl)thio)-N-(3-methyl-1,1
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Mol. Formula:
C18H13Cl2N3O3S3
M.W.:
486.43
Type:
---
AlogP:
5.14
Polar Surface Area:
89.02
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5287527 Name:
(2R,14aS,15bS)-2,15b-dihydroxy-14a-methyl-1,4,5,12
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Mol. Formula:
C24H21NO7S
M.W.:
467.50
Type:
---
AlogP:
1.51
Polar Surface Area:
125.12
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5287401 Name:
2-((3,5-dichloropyridin-4-yl)thio)-N-(1,1-dioxidob
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Mol. Formula:
C18H8Cl2F3N3O3S3
M.W.:
538.38
Type:
---
AlogP:
6.03
Polar Surface Area:
89.02
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5287386 Name:
3-((1-(2-benzylbutanoyl)-4-hydroxypiperidin-4-yl)m
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Mol. Formula:
C23H28N4O3
M.W.:
408.50
Type:
---
AlogP:
2.12
Polar Surface Area:
79.84
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5287355 Name:
4-(2-amino-4-ethyl-5-(3-(morpholinomethyl)phenyl)p
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Mol. Formula:
C24H27N3O2
M.W.:
389.50
Type:
---
AlogP:
4.10
Polar Surface Area:
71.61
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5287308 Name:
3-(1-cyano-2-ethoxy-2-hydroxyvinyl)-9-oxo-9H-inden
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Mol. Formula:
C17H10N4O3
M.W.:
318.29
Type:
---
AlogP:
2.35
Polar Surface Area:
119.89
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5287182 Name:
4,4'-(2-amino-4-cyclopropylpyridine-3,5-diyl)diphe
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Mol. Formula:
C20H18N2O2
M.W.:
318.38
Type:
---
AlogP:
4.29
Polar Surface Area:
79.37
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5287025 Name:
1-(5-((3-chlorophenyl)thio)-4-nitrothiophen-2-yl)e
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Mol. Formula:
C12H8ClNO3S2
M.W.:
313.79
Type:
---
AlogP:
4.66
Polar Surface Area:
60.21
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5286935 Name:
N-(3-(6-amino-4-ethyl-5-(1H-indazol-6-yl)pyridin-3
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Mol. Formula:
C22H21N5O
M.W.:
371.44
Type:
---
AlogP:
4.39
Polar Surface Area:
96.69
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5286847 Name:
N-(6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-[3,3'-bi
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Mol. Formula:
C20H20N4O2
M.W.:
348.41
Type:
---
AlogP:
3.62
Polar Surface Area:
101.13
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5286779 Name:
N-(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-y
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Mol. Formula:
C32H41N5O4
M.W.:
559.71
Type:
---
AlogP:
3.76
Polar Surface Area:
107.77
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
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