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ALA4514739 Name:
sodium (S)-6-(2-chloro-4-methylphenylamino)-4-(4'-
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Mol. Formula:
C26H29ClN3NaO5
M.W.:
521.98
Type:
Unknown
AlogP:
6.34
Polar Surface Area:
118.46
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4514578 Name:
rac-5-amino-3-(4-cyclopropyl-5-(4-methylpentyl)-4H
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Mol. Formula:
C24H37N5O
M.W.:
411.59
Type:
Unknown
AlogP:
4.67
Polar Surface Area:
85.83
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4514441 Name:
4-[({3-[2-Chloro-6-(trifluoromethyl)phenyl]-5-(nap
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Mol. Formula:
C28H18ClF3N2O3
M.W.:
522.91
Type:
Unknown
AlogP:
8.14
Polar Surface Area:
75.36
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4514309 Name:
(S)-6-(2-chloro-4-methylphenylamino)-4-(4-cyclopro
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Mol. Formula:
C29H33ClN2O4
M.W.:
509.05
Type:
Unknown
AlogP:
7.36
Polar Surface Area:
92.43
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4513846 Name:
trans-4-((R)-3-(4-fluorophenylsulfonyl)-3-(4-(perf
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Mol. Formula:
C28H27F8NO5S
M.W.:
641.58
Type:
Unknown
AlogP:
6.30
Polar Surface Area:
91.75
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4513808 Name:
(S)-2-(2,4-Dichloro-3-(2-cyclopropyl-5-methyl-4-(1
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Mol. Formula:
C24H24Cl2F3N3O2
M.W.:
514.38
Type:
Unknown
AlogP:
6.26
Polar Surface Area:
58.36
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4513552 Name:
3-Cyano-N-(3-(8-(cyclobutanecarbonyl)-3,8-diazabic
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Mol. Formula:
C28H30N4O2
M.W.:
454.57
Type:
Unknown
AlogP:
4.27
Polar Surface Area:
76.44
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4513426 Name:
rac-3-(4-cyclopropyl-5-(4-methylpentyl)-4H-1,2,4-t
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Mol. Formula:
C24H36N4O2
M.W.:
412.58
Type:
Unknown
AlogP:
4.70
Polar Surface Area:
80.04
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4476687 Name:
trans-4-((R)-3-(4-fluorophenylsulfonyl)-3-(4-(perf
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Mol. Formula:
C29H29F8NO6S
M.W.:
671.60
Type:
Unknown
AlogP:
5.92
Polar Surface Area:
100.98
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4476207 Name:
3-Cyano-N-(3-(8-(2-cyclobutylacetyl)-3,8-diazabicy
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Mol. Formula:
C29H32N4O2
M.W.:
468.60
Type:
Unknown
AlogP:
4.66
Polar Surface Area:
76.44
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4476185 Name:
4-[3-(2-chloro-6-methyl-benzoyl)indol-1-yl]benzoic
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Mol. Formula:
C23H16ClNO3
M.W.:
389.84
Type:
Unknown
AlogP:
5.52
Polar Surface Area:
59.30
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4476096 Name:
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]pyrazolo
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Mol. Formula:
C20H9ClF4N4O3
M.W.:
464.76
Type:
Unknown
AlogP:
4.69
Polar Surface Area:
97.97
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4475854 Name:
6-methyl-N-(7-methyl-8-(((2S,4S)-2-methyl-1-(4,4,4
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Mol. Formula:
C25H26F6N6O3
M.W.:
572.51
Type:
Unknown
AlogP:
4.88
Polar Surface Area:
101.72
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4475634 Name:
4-(3-(2-chloro-6-fluorobenzoyl)-1H-indol-1-yl)benz
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Mol. Formula:
C22H13ClFNO3
M.W.:
393.80
Type:
Unknown
AlogP:
5.35
Polar Surface Area:
59.30
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4475299 Name:
3-Cyano-N-(1-(8-(cyclobutanecarbonyl)-3,8-diazabic
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Mol. Formula:
C28H30N4O2
M.W.:
454.57
Type:
Unknown
AlogP:
4.27
Polar Surface Area:
76.44
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4475033 Name:
N-(1-[4-(Ethylsulfonyl)phenyl]-2-{[4-(1,1,1,3,3,3-
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Mol. Formula:
C28H26F6N2O5S
M.W.:
616.58
Type:
Unknown
AlogP:
5.22
Polar Surface Area:
112.57
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4474340 Name:
3-Cyano-N-(3-(8-(cyclopentanecarbonyl)-3,8-diazabi
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Mol. Formula:
C29H32N4O2
M.W.:
468.60
Type:
Unknown
AlogP:
4.66
Polar Surface Area:
76.44
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4540555 Name:
6-((2-Chloro-6-fluorobenzyl)oxy)-1-((3-(trifluorom
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Mol. Formula:
C22H16ClF4NO3S
M.W.:
485.89
Type:
Unknown
AlogP:
5.83
Polar Surface Area:
46.61
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4539929 Name:
2-(6-(3-(Difluoromethoxy)-5-fluorophenyl)-1-((3-(t
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Mol. Formula:
C28H24F6N2O6S2
M.W.:
662.63
Type:
Unknown
AlogP:
4.88
Polar Surface Area:
101.06
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4539792 Name:
3-Cyano-N-(1-(1-(cyclopentanecarbonyl)piperidin-4-
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Mol. Formula:
C27H28N4O2
M.W.:
440.55
Type:
Unknown
AlogP:
5.12
Polar Surface Area:
78.13
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
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