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ALA4475338 Name:
(Z)-2-Imino-5-((5-(4-(trifluoromethyl)phenyl)pyrid
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Mol. Formula:
C16H10F3N3OS
M.W.:
349.34
Type:
Unknown
AlogP:
3.91
Polar Surface Area:
65.84
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4538609 Name:
(Z)-5-((5-(4-(Dimethylamino)phenyl)pyridin-3-yl)me
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Mol. Formula:
C17H16N4OS
M.W.:
324.41
Type:
Unknown
AlogP:
2.95
Polar Surface Area:
69.08
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4537067 Name:
4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[
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Mol. Formula:
C35H33N7O2
M.W.:
583.70
Type:
Unknown
AlogP:
6.94
Polar Surface Area:
111.28
HBA:
7
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4520888 Name:
N-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phen
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Mol. Formula:
C29H33N9O2
M.W.:
539.64
Type:
Unknown
AlogP:
4.18
Polar Surface Area:
131.17
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4533123 Name:
3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[
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Mol. Formula:
C30H28N8O2
M.W.:
532.61
Type:
Unknown
AlogP:
5.07
Polar Surface Area:
127.93
HBA:
7
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4571099 Name:
4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[
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Mol. Formula:
C30H28N8O2
M.W.:
532.61
Type:
Unknown
AlogP:
5.07
Polar Surface Area:
127.93
HBA:
7
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4518868 Name:
4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-m
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Mol. Formula:
C31H30N8O2
M.W.:
546.64
Type:
Unknown
AlogP:
5.38
Polar Surface Area:
127.93
HBA:
7
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4517979 Name:
4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[
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Mol. Formula:
C30H34N8O2
M.W.:
538.66
Type:
Unknown
AlogP:
4.49
Polar Surface Area:
127.93
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4572941 Name:
4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-[
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Mol. Formula:
C30H28N8O2
M.W.:
532.61
Type:
Unknown
AlogP:
5.07
Polar Surface Area:
127.93
HBA:
7
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5282625 Name:
(2R)-2-((3-Cyano-2-(2'-(propan-2-yl)biphenyl-4-yl)
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Mol. Formula:
C28H27N5O
M.W.:
449.56
Type:
---
AlogP:
5.63
Polar Surface Area:
104.69
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5282610 Name:
N2-(2-(4-Bromophenyl)-3-cyano-1,7-naphthyridin-4-y
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Mol. Formula:
C20H17BrN4O
M.W.:
409.29
Type:
---
AlogP:
4.08
Polar Surface Area:
92.66
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA5282526 Name:
(2R)-2-((3-Cyano-2-(3'-methoxybiphenyl-4-yl)-1,7-n
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Mol. Formula:
C26H23N5O2
M.W.:
437.50
Type:
---
AlogP:
4.52
Polar Surface Area:
113.92
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5282498 Name:
(S)-8-(4-(methylthio)phenyl)-6-oxo-3-(o-tolyl)-2,3
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Mol. Formula:
C22H21N3OS2
M.W.:
407.56
Type:
---
AlogP:
4.94
Polar Surface Area:
47.34
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5282490 Name:
N-(3-chloro-4-methoxy-phenyl)-1-(6-methyl-3-pyridy
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Mol. Formula:
C18H15ClN6O
M.W.:
366.81
Type:
---
AlogP:
3.92
Polar Surface Area:
77.75
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5282226 Name:
(2R)-2-((3-Cyano-2-(2'-fluorobiphenyl-4-yl)-1,7-na
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Mol. Formula:
C25H20FN5O
M.W.:
425.47
Type:
---
AlogP:
4.65
Polar Surface Area:
104.69
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5281907 Name:
4-amino-3-(5-(thiophen-2-yl)-2H-tetrazol-2-yl)-6,7
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Mol. Formula:
C15H12N6OS2
M.W.:
356.44
Type:
---
AlogP:
2.36
Polar Surface Area:
102.48
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5281763 Name:
(2R)-2((3-Cyano-2-(4-(3-methylpyridin-2-yl)phenyl)
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Mol. Formula:
C25H22N6O
M.W.:
422.49
Type:
---
AlogP:
4.21
Polar Surface Area:
117.58
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5281676 Name:
(S)-(3-(furan-2-yl)-1H-pyrazol-5-yl)(3-(5-(trifluo
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Mol. Formula:
C20H17F3N6O2
M.W.:
430.39
Type:
---
AlogP:
3.91
Polar Surface Area:
92.84
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5281421 Name:
N-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-1H
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Mol. Formula:
C18H13Cl2N5O
M.W.:
386.24
Type:
---
AlogP:
4.87
Polar Surface Area:
64.86
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5281250 Name:
N-(4-((7-(3,4-dimethylphenyl)-7H-pyrrolo[2,3-d]pyr
Show More⌵
Mol. Formula:
C22H21N5O
M.W.:
371.44
Type:
---
AlogP:
4.74
Polar Surface Area:
71.84
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
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