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ALA5094079 Name:
5-(hex-1-ynyl)-2-(tetrahydrofuran-3-ylamino)benzam
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Mol. Formula:
C17H22N2O2
M.W.:
286.38
Type:
Unknown
AlogP:
2.53
Polar Surface Area:
64.35
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5093787 Name:
5-(3,3-dimethylbut-1-ynyl)-2-((1r,4r)-4-hydroxycyc
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Mol. Formula:
C19H26N2O2
M.W.:
314.43
Type:
Unknown
AlogP:
2.90
Polar Surface Area:
75.35
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5093243 Name:
5-(hex-1-ynyl)-2-((1r,4r)-4-hydroxycyclohexylamino
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Mol. Formula:
C19H26N2O2
M.W.:
314.43
Type:
Unknown
AlogP:
3.04
Polar Surface Area:
75.35
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5093202 Name:
5-(hex-1-ynyl)-2-(1-(2-morpholinoacetyl)piperidin-
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Mol. Formula:
C24H34N4O3
M.W.:
426.56
Type:
Unknown
AlogP:
2.06
Polar Surface Area:
87.90
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5092629 Name:
2-(1-acetylpiperidin-3-ylamino)-5-(hex-1-ynyl)benz
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Mol. Formula:
C20H27N3O2
M.W.:
341.46
Type:
Unknown
AlogP:
2.75
Polar Surface Area:
75.43
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5092143 Name:
5-(3-(diethylamino)prop-1-ynyl)-2-((1r,4r)-4-hydro
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Mol. Formula:
C20H29N3O2
M.W.:
343.47
Type:
Unknown
AlogP:
2.19
Polar Surface Area:
78.59
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5091953 Name:
5-(3-(dimethylamino)prop-1-ynyl)-2-((1r,4r)-4-hydr
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Mol. Formula:
C18H25N3O2
M.W.:
315.42
Type:
Unknown
AlogP:
1.41
Polar Surface Area:
78.59
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5091405 Name:
2-(1-(2-cyclopropylacetyl)piperidin-4-ylamino)-5-(
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Mol. Formula:
C23H31N3O2
M.W.:
381.52
Type:
Unknown
AlogP:
3.53
Polar Surface Area:
75.43
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5090818 Name:
5-(hex-1-ynyl)-2-((tetrahydro-2H-pyran-4-yl)methyl
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Mol. Formula:
C19H26N2O2
M.W.:
314.43
Type:
Unknown
AlogP:
3.17
Polar Surface Area:
64.35
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5090524 Name:
5-(hex-1-ynyl)-2-(1-(3-morpholinopropanoyl)piperid
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Mol. Formula:
C25H36N4O3
M.W.:
440.59
Type:
Unknown
AlogP:
2.45
Polar Surface Area:
87.90
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5090316 Name:
5-(cyclohexylethynyl)-2-((1r,4r)-4-hydroxycyclohex
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Mol. Formula:
C21H28N2O2
M.W.:
340.47
Type:
Unknown
AlogP:
3.43
Polar Surface Area:
75.35
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5089381 Name:
5-(hex-1-ynyl)-2-(tetrahydro-2H-pyran-4-ylamino)be
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Mol. Formula:
C18H24N2O2
M.W.:
300.40
Type:
Unknown
AlogP:
2.92
Polar Surface Area:
64.35
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5089184 Name:
5-(hex-1-ynyl)-2-(3-methoxypropylamino)benzamide
Mol. Formula:
C17H24N2O2
M.W.:
288.39
Type:
Unknown
AlogP:
2.78
Polar Surface Area:
64.35
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5089044 Name:
5-(cyclopentylethynyl)-2-((1r,4r)-4-hydroxycyclohe
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Mol. Formula:
C20H26N2O2
M.W.:
326.44
Type:
Unknown
AlogP:
3.04
Polar Surface Area:
75.35
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5089014 Name:
2-(3-ethoxypropylamino)-5-(hex-1-ynyl)benzamide
Mol. Formula:
C18H26N2O2
M.W.:
302.42
Type:
Unknown
AlogP:
3.17
Polar Surface Area:
64.35
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5088257 Name:
5-(hex-1-ynyl)-2-(piperidin-4-ylamino)benzamide
Mol. Formula:
C18H25N3O
M.W.:
299.42
Type:
Unknown
AlogP:
2.49
Polar Surface Area:
67.15
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5088079 Name:
5-(hex-1-ynyl)-2-(piperidin-4-ylmethylamino)benzam
Show More⌵
Mol. Formula:
C19H27N3O
M.W.:
313.45
Type:
Unknown
AlogP:
2.74
Polar Surface Area:
67.15
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5087889 Name:
2-((1r,4r)-4-hydroxycyclohexylamino)-5-(5-methylhe
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Mol. Formula:
C20H28N2O2
M.W.:
328.46
Type:
Unknown
AlogP:
3.29
Polar Surface Area:
75.35
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5087678 Name:
2-((1r,4r)-4-hydroxycyclohexylamino)-5-(4-methylpe
Show More⌵
Mol. Formula:
C19H26N2O2
M.W.:
314.43
Type:
Unknown
AlogP:
2.90
Polar Surface Area:
75.35
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5087473 Name:
2-(2-acetamidoethylamino)-5-(hex-1-ynyl)benzamide
Mol. Formula:
C17H23N3O2
M.W.:
301.39
Type:
Unknown
AlogP:
1.88
Polar Surface Area:
84.22
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
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