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ALA5286777 Name:
3-isobutoxy-4-(3-(naphthalen-2-ylmethoxy)-4-nitrobenzamido)benzoic acid
Mol. Formula:
C29H26N2O7
M.W.:
514.53
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Type:
---
AlogP:
6.31
Polar Surface Area:
128.00
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4780968 Name:
3-iodo-N-[2,2,2-trichloro-1-[(4-iodophenyl)carbamothioylamino]ethyl]benzamiShow More⌵
Mol. Formula:
C16H12Cl3I2N3OS
M.W.:
654.53
Type:
Unknown
AlogP:
5.31
Polar Surface Area:
53.16
HBA:
2
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4593918 Name:
3-(2-methoxyethylamino)-N-(3-(5-(quinolin-6-yl)benzo[d]thiazol-2-yl)-4,5,6,Show More⌵
Mol. Formula:
C29H29N5O2S2
M.W.:
543.72
Type:
Unknown
AlogP:
5.45
Polar Surface Area:
88.17
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4593417 Name:
2-(2-(3-(Isopropylamino)propanamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridinShow More⌵
Mol. Formula:
C23H29N5O2S2
M.W.:
471.65
Type:
Unknown
AlogP:
3.70
Polar Surface Area:
86.36
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4593372 Name:
3-(2-methoxyethylamino)-N-(3-(6-(1-methyl-1H-pyrazol-5-yl)benzo[d]thiazol-2Show More⌵
Mol. Formula:
C24H28N6O2S2
M.W.:
496.66
Type:
Unknown
AlogP:
3.64
Polar Surface Area:
93.10
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4593332 Name:
N-(3-(5-(4-chloro-1H-imidazol-1-yl)benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydroShow More⌵
Mol. Formula:
C23H25ClN6OS2
M.W.:
501.08
Type:
Unknown
AlogP:
4.84
Polar Surface Area:
83.87
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4593297 Name:
N-(3-(6-(5-fluoropyridin-3-yl)benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrothienShow More⌵
Mol. Formula:
C25H26FN5O2S2
M.W.:
511.65
Type:
Unknown
AlogP:
4.44
Polar Surface Area:
88.17
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4593257 Name:
2-(2,5-dimethylpyrrol-1-yl)-4-[[(4-pyrimidin-5-ylphenyl)methyleneamino]carbShow More⌵
Mol. Formula:
C25H21N5O3
M.W.:
439.48
Type:
Unknown
AlogP:
4.01
Polar Surface Area:
109.47
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4593183 Name:
N-(3-([1,3]Dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6-yl)-4,5,6,7-tetrahydrothShow More⌵
Mol. Formula:
C22H26N4O3S2
M.W.:
458.61
Type:
Unknown
AlogP:
4.12
Polar Surface Area:
84.51
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4592852 Name:
3-(benzo[d]thiazol-2-yl)-2-(3-(sec-butylamino)propanamido)-6-isopropyl-6-meShow More⌵
Mol. Formula:
C25H35N4OS2+
M.W.:
471.72
Type:
Unknown
AlogP:
5.65
Polar Surface Area:
54.02
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4592802 Name:
N-((5R,7R)-5,7-dimethyl-3-(5-(trifluoromethyl)benzo[d]thiazol-2-yl)-4,5,6,7Show More⌵
Mol. Formula:
C23H27F3N4O2S2
M.W.:
512.62
Type:
Unknown
AlogP:
5.20
Polar Surface Area:
75.28
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4592572 Name:
4-[[(4-carboxyphenyl)methylamino]methyl]-2-(2,5-dimethylpyrrol-1-yl)benzoicShow More⌵
Mol. Formula:
C22H22N2O4
M.W.:
378.43
Type:
Unknown
AlogP:
3.78
Polar Surface Area:
91.56
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4592428 Name:
N-(3-(5-(2-aminopyridin-4-yl)benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrothienoShow More⌵
Mol. Formula:
C25H28N6O2S2
M.W.:
508.67
Type:
Unknown
AlogP:
3.88
Polar Surface Area:
114.19
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4592337 Name:
N-(3-(benzo[d]thiazol-2-yl)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyriShow More⌵
Mol. Formula:
C24H32N4OS2
M.W.:
456.68
Type:
Unknown
AlogP:
5.46
Polar Surface Area:
48.47
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4592328 Name:
4-[[(Z)-(3-carboxyphenyl)methyleneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-Show More⌵
Mol. Formula:
C22H19N3O5
M.W.:
405.41
Type:
Unknown
AlogP:
3.25
Polar Surface Area:
120.99
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4592303 Name:
N-(3-(6-(2-fluoropyridin-3-yl)benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrothienShow More⌵
Mol. Formula:
C25H26FN5O2S2
M.W.:
511.65
Type:
Unknown
AlogP:
4.44
Polar Surface Area:
88.17
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4592180 Name:
N-(3-(5-cyanobenzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2Show More⌵
Mol. Formula:
C21H23N5OS2
M.W.:
425.58
Type:
Unknown
AlogP:
3.87
Polar Surface Area:
89.84
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4592135 Name:
3-(3-cyano-3-methylazetidin-1-yl)-N-(3-(thiazolo[4,5-c]pyridin-2-yl)-4,5,6,Show More⌵
Mol. Formula:
C21H22N6OS2
M.W.:
438.58
Type:
Unknown
AlogP:
3.24
Polar Surface Area:
93.94
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4591927 Name:
N-((5R,7R)-6-ethyl-5,7-dimethyl-3-(thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetShow More⌵
Mol. Formula:
C19H22N4OS2
M.W.:
386.55
Type:
Unknown
AlogP:
4.71
Polar Surface Area:
58.12
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4591866 Name:
3-(2-methoxyethylamino)-N-(3-(5-(3-(methylsulfonyl)phenyl)benzo[d]thiazol-2Show More⌵
Mol. Formula:
C27H30N4O4S3
M.W.:
570.76
Type:
Unknown
AlogP:
4.31
Polar Surface Area:
109.42
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
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