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ALA5204063 Name:
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethaShow More⌵
Mol. Formula:
C21H20N4O4
M.W.:
392.42
Type:
---
AlogP:
1.74
Polar Surface Area:
95.60
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5206172 Name:
N1-(5-chloropyridin-2-yl)-N2-(1-(2-(5-guanidinopentanamido)ethyl)piperidin-Show More⌵
Mol. Formula:
C26H34ClF9N8O9
M.W.:
809.04
Type:
---
AlogP:
0.02
Polar Surface Area:
165.33
HBA:
6
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA5184106 Name:
N-(2-(4-(2-((5-chloropyridin-2-yl)amino)acetamido)piperidin-1-yl)ethyl)-5-gShow More⌵
Mol. Formula:
C26H36ClF9N8O8
M.W.:
795.06
Type:
---
AlogP:
0.50
Polar Surface Area:
148.26
HBA:
6
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5182018 Name:
N1-((2S)-1-((2-(4-(2-((6-fluoropyridin-3-yl)amino)-2-oxoacetamido)-1-azaspiShow More⌵
Mol. Formula:
C60H98F10N10O23
M.W.:
1517.47
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5177492 Name:
N1-(6-fluoropyridin-3-yl)-N2-(1-(2-(5-guanidinopentanamido)ethyl)-1-azaspirShow More⌵
Mol. Formula:
C31H42F10N8O9
M.W.:
860.70
Type:
---
AlogP:
1.21
Polar Surface Area:
165.33
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5173339 Name:
N1-(5-chloropyridin-3-yl)-N2-(1-(2-(5-guanidinopentanamido)ethyl)-1-azaspirShow More⌵
Mol. Formula:
C31H42ClF9N8O9
M.W.:
877.16
Type:
---
AlogP:
1.73
Polar Surface Area:
165.33
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA5170801 Name:
N1-(5-fluoropyridin-3-yl)-N2-(1-(2-(5-guanidinopentanamido)ethyl)-1-azaspirShow More⌵
Mol. Formula:
C31H42F10N8O9
M.W.:
860.70
Type:
---
AlogP:
1.21
Polar Surface Area:
165.33
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4879121 Name:
N1-((1R,2R,3S)-3-(but-3-enyl)-2-(guanidinomethyl)-5-((methylamino)methyl)-2Show More⌵
Mol. Formula:
C29H32ClF7N6O6
M.W.:
729.05
Type:
Unknown
AlogP:
3.16
Polar Surface Area:
132.13
HBA:
4
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4878723 Name:
N1-(4-Chlorophenyl)-N2-(1-(2-(2-guanidino-6-(11-guanidinoundecanamido)hexanShow More⌵
Mol. Formula:
C39H66ClN11O4
M.W.:
788.48
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
243.44
HBA:
7
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA4878191 Name:
1-((2-(4-(2-((4-Chlorophenyl)amino)-2-oxoacetamido)-1-azaspiro[5.5]undecan-Show More⌵
Mol. Formula:
C46H77ClN8O6
M.W.:
873.62
Type:
Unknown
AlogP:
7.23
Polar Surface Area:
207.84
HBA:
8
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
29
Passes Ro3:
N
QED Weighted:
0.01
DETAILS
CLOSE
ALA4877164 Name:
N1-(4-chloro-3-fluorophenyl)-N2-((1R,2R,3S)-3-((S)-3,4-dihydroxybutyl)-2-(gShow More⌵
Mol. Formula:
C29H34ClF7N6O8
M.W.:
763.06
Type:
Unknown
AlogP:
1.32
Polar Surface Area:
172.59
HBA:
6
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4876176 Name:
N1-((2S)-1-((2-(4-(2-((4-Chlorophenyl)amino)-2-oxoacetamido)-1-azaspiro[5.5Show More⌵
Mol. Formula:
C41H68ClN9O10
M.W.:
882.50
Type:
Unknown
AlogP:
1.04
Polar Surface Area:
256.79
HBA:
12
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
29
Passes Ro3:
N
QED Weighted:
0.02
DETAILS
CLOSE
ALA4875361 Name:
N1-(4-Chlorophenyl)-N2-(1-(2-(2-guanidino-6-(8-guanidinooctanamido)hexanamiShow More⌵
Mol. Formula:
C36H60ClN11O4
M.W.:
746.40
Type:
Unknown
AlogP:
2.64
Polar Surface Area:
243.44
HBA:
7
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4875133 Name:
N1-(4-chloro-3-fluorophenyl)-N2-((1R,2R,3S)-2-(guanidinomethyl)-3-(3-hydroxShow More⌵
Mol. Formula:
C28H32ClF7N6O7
M.W.:
733.04
Type:
Unknown
AlogP:
1.96
Polar Surface Area:
152.36
HBA:
5
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4873341 Name:
N1-((2S)-1-((2-(4-(2-((4-Chlorophenyl)amino)-2-oxoacetamido)-1-azaspiro[5.5Show More⌵
Mol. Formula:
C55H96ClN9O17
M.W.:
1190.87
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4873137 Name:
N1-(4-Chlorophenyl)-N2-(1-(2-(11-guanidinoundecanamido)ethyl)-1-azaspiro[5.Show More⌵
Mol. Formula:
C32H52ClN7O3
M.W.:
618.27
Type:
Unknown
AlogP:
4.67
Polar Surface Area:
152.44
HBA:
5
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4872281 Name:
1-((2-(4-(2-((4-Chlorophenyl)amino)-2-oxoacetamido)-1-azaspiro[5.5]undecan-Show More⌵
Mol. Formula:
C51H78ClN7O10S
M.W.:
1016.74
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4871020 Name:
1-((2-(4-(2-((4-Chlorophenyl)amino)-2-oxoacetamido)-1-azaspiro[5.5]undecan-Show More⌵
Mol. Formula:
C46H68ClN7O15S
M.W.:
1026.60
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4869179 Name:
N1-(4-chloro-3-fluorophenyl)-N2-((1R,2R,3S)-3-((R)-3,4-dihydroxybutyl)-2-(gShow More⌵
Mol. Formula:
C29H34ClF7N6O8
M.W.:
763.06
Type:
Unknown
AlogP:
1.32
Polar Surface Area:
172.59
HBA:
6
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4868439 Name:
N1-(4-chloro-3-fluorophenyl)-N2-((1R,2R,3S)-3-((S)-3,4-dihydroxybutyl)-2-(gShow More⌵
Mol. Formula:
C29H34ClF7N6O8
M.W.:
763.06
Type:
Unknown
AlogP:
1.32
Polar Surface Area:
172.59
HBA:
6
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
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