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ALA4547499 Name:
4-[(11-oxo-4,6,7,8,9,11-hexahydro-1H-dipyrido[1,2-
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Mol. Formula:
C19H19N3O4
M.W.:
353.38
Type:
Unknown
AlogP:
1.48
Polar Surface Area:
92.50
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA4546647 Name:
N-(2-Chloro-4-{[7-methyl-8-(4-methylpiperazin-1-yl
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Mol. Formula:
C26H29ClN4O5S
M.W.:
545.06
Type:
Unknown
AlogP:
3.08
Polar Surface Area:
103.17
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4549834 Name:
N-{4-[(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3
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Mol. Formula:
C21H20N4O4S
M.W.:
424.48
Type:
Unknown
AlogP:
2.01
Polar Surface Area:
112.23
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5094059 Name:
N-(4-((1-Benzyl-3,7-dimethyl-2,6-dioxo-2,3,6,7-tet
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Mol. Formula:
C25H24N6O7
M.W.:
520.50
Type:
Unknown
AlogP:
0.88
Polar Surface Area:
177.55
HBA:
10
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5093943 Name:
N-(4-((1-(3,4-Dichlorobenzyl)-3,7-dimethyl-2,6-dio
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Mol. Formula:
C26H24Cl2N6O7
M.W.:
603.42
Type:
Unknown
AlogP:
2.58
Polar Surface Area:
177.55
HBA:
10
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA5090659 Name:
3-(4-((1-((4-Chloro-1H-indol-2-yl)methyl)-3,7-dime
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Mol. Formula:
C24H23ClN8O4
M.W.:
522.95
Type:
Unknown
AlogP:
2.48
Polar Surface Area:
152.72
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5085594 Name:
N-(4-(((1-(3,4-Dichlorobenzyl)-3-methyl-2,6-dioxo-
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Mol. Formula:
C25H23Cl2N5O8
M.W.:
592.39
Type:
Unknown
AlogP:
2.59
Polar Surface Area:
188.83
HBA:
8
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5084848 Name:
N-(4-((1-(3,4-Dichlorobenzyl)-3,7-dimethyl-2,6-dio
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Mol. Formula:
C25H22Cl2N6O7
M.W.:
589.39
Type:
Unknown
AlogP:
2.19
Polar Surface Area:
177.55
HBA:
10
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5083581 Name:
2-(4-(3-(2,4-diamino-6-hydroxypyrimidin-5-yl)ureid
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Mol. Formula:
C17H19N7O7
M.W.:
433.38
Type:
Unknown
AlogP:
0.04
Polar Surface Area:
242.88
HBA:
9
HBD:
8
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5082640 Name:
N-(4-((1-Benzyl-3,7-dimethyl-2,6-dioxo-2,3,6,7-tet
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Mol. Formula:
C26H26N6O7
M.W.:
534.53
Type:
Unknown
AlogP:
1.27
Polar Surface Area:
177.55
HBA:
10
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5077920 Name:
4-(((1-(3,4-Dichlorobenzyl)-3-methyl-2,6-dioxo-1,2
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Mol. Formula:
C20H16Cl2N4O5
M.W.:
463.28
Type:
Unknown
AlogP:
3.24
Polar Surface Area:
122.43
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5077748 Name:
1-(3,4-Dichlorobenzyl)-8-((trans-4-hydroxycyclohex
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Mol. Formula:
C20H23Cl2N5O3
M.W.:
452.34
Type:
Unknown
AlogP:
2.50
Polar Surface Area:
94.08
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5076176 Name:
N-(4-((1-((4-Chloro-1H-indol-2-yl)methyl)-3,7-dime
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Mol. Formula:
C28H26ClN7O7
M.W.:
608.01
Type:
Unknown
AlogP:
2.41
Polar Surface Area:
193.34
HBA:
10
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5075801 Name:
4-((1-(3,4-Dichlorobenzyl)-3,7-dimethyl-2,6-dioxo-
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Mol. Formula:
C21H17Cl2N5O4
M.W.:
474.30
Type:
Unknown
AlogP:
3.23
Polar Surface Area:
111.15
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5074925 Name:
N-((3-(3,4-Dichlorobenzyl)-2,4-dioxo-1,2,3,4-tetra
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Mol. Formula:
C22H19Cl2N3O7
M.W.:
508.31
Type:
Unknown
AlogP:
2.10
Polar Surface Area:
147.70
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4551634 Name:
N-(3-Chloro-5-{[7-methyl-8-(4-methylpiperazin-1-yl
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Mol. Formula:
C26H29ClN4O5S
M.W.:
545.06
Type:
Unknown
AlogP:
3.08
Polar Surface Area:
103.17
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4540574 Name:
4-[(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]
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Mol. Formula:
C20H18N4O4S
M.W.:
410.46
Type:
Unknown
AlogP:
1.28
Polar Surface Area:
126.22
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4540255 Name:
2-chloro-4-[(4-oxo-2-phenyl-3,5,7,8-tetrahydropyri
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Mol. Formula:
C21H16ClN3O4
M.W.:
409.83
Type:
Unknown
AlogP:
2.99
Polar Surface Area:
103.36
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4538356 Name:
N-(2-Fluoro-4-{[7-methyl-8-(4-methylpiperazin-1-yl
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Mol. Formula:
C26H29FN4O5S
M.W.:
528.61
Type:
Unknown
AlogP:
2.56
Polar Surface Area:
103.17
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4538051 Name:
4-[(5-oxo-1,4,5,6-tetrahydrobenzo[c][2,7]naphthyri
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Mol. Formula:
C20H16N2O4
M.W.:
348.36
Type:
Unknown
AlogP:
2.42
Polar Surface Area:
90.47
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
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