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ALA5287429 Name:
3-((5-oxo-4-(4-(trifluoromethyl)benzyl)-1,2,4,5,8,
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Mol. Formula:
C25H22F3N5O
M.W.:
465.48
Type:
---
AlogP:
3.75
Polar Surface Area:
62.94
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5283010 Name:
1-(3-aminopropyl)-6-(3-methylbenzyl)-3-(4-(trifluo
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Mol. Formula:
C26H29F3N4O2
M.W.:
486.54
Type:
---
AlogP:
3.29
Polar Surface Area:
73.26
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5290620 Name:
3-((4-(4-chlorobenzyl)-5-oxo-1,2,4,5,8,9-hexahydro
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Mol. Formula:
C24H22ClN5O
M.W.:
431.93
Type:
---
AlogP:
3.39
Polar Surface Area:
62.94
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5290082 Name:
7-(3-ethynylbenzyl)-4-(4-methylbenzyl)-2,4,6,7,8,9
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Mol. Formula:
C26H26N4O
M.W.:
410.52
Type:
---
AlogP:
3.15
Polar Surface Area:
39.15
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4525492 Name:
4-(2-(4-(4-(3-(2-(methylthio)-10H-phenothiazin-10-
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Mol. Formula:
C34H38N6O7S3
M.W.:
738.91
Type:
Unknown
AlogP:
3.98
Polar Surface Area:
152.23
HBA:
12
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA5275131 Name:
3-((3-(4-chlorobenzyl)-1-methyl-2,4-dioxo-1,3,4,5,
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Mol. Formula:
C23H21ClN4O2
M.W.:
420.90
Type:
---
AlogP:
2.68
Polar Surface Area:
71.03
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4559340 Name:
2,2'-((3-(2-(trifluoromethyl)-10H-phenothiazin-10-
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Mol. Formula:
C20H23F3N2O2S
M.W.:
412.48
Type:
Unknown
AlogP:
3.98
Polar Surface Area:
46.94
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4553190 Name:
4-(2-(2-((4-(4-(3-(2-(methylthio)-10H-phenothiazin
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Mol. Formula:
C36H41N5O9S3
M.W.:
783.95
Type:
Unknown
AlogP:
4.42
Polar Surface Area:
158.66
HBA:
14
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4540600 Name:
4-(2-(2-((4-(4-(3-(10H-phenothiazin-10-yl)propyl)p
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Mol. Formula:
C35H39N5O9S2
M.W.:
737.86
Type:
Unknown
AlogP:
3.70
Polar Surface Area:
158.66
HBA:
13
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4540195 Name:
4-(2-(2-((4-oxo-4-(4-(3-(2-(trifluoromethyl)-10H-p
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Mol. Formula:
C36H38F3N5O9S2
M.W.:
805.85
Type:
Unknown
AlogP:
4.72
Polar Surface Area:
158.66
HBA:
13
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4529458 Name:
4-(2-(4-oxo-4-(4-(3-(2-(trifluoromethyl)-10H-pheno
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Mol. Formula:
C34H35F3N6O7S2
M.W.:
760.82
Type:
Unknown
AlogP:
4.27
Polar Surface Area:
152.23
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4474393 Name:
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-((4-(3-(2-(tri
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Mol. Formula:
C36H34F3N3O5S
M.W.:
677.75
Type:
Unknown
AlogP:
7.34
Polar Surface Area:
96.71
HBA:
9
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4474323 Name:
6-((4-(3-(10H-phenothiazin-10-yl)propyl)piperazin-
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Mol. Formula:
C35H35N3O4S
M.W.:
593.75
Type:
Unknown
AlogP:
6.61
Polar Surface Area:
76.48
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4521031 Name:
4-(3-((4-(4-(3-(10H-phenothiazin-10-yl)propyl)pipe
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Mol. Formula:
C35H39N5O8S2
M.W.:
721.86
Type:
Unknown
AlogP:
4.46
Polar Surface Area:
149.43
HBA:
12
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4519439 Name:
2,2'-((3-(2-(methylthio)-10H-phenothiazin-10-yl)pr
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Mol. Formula:
C20H26N2O2S2
M.W.:
390.57
Type:
Unknown
AlogP:
3.69
Polar Surface Area:
46.94
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4594153 Name:
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-((4-(3-(2-(met
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Mol. Formula:
C36H37N3O5S2
M.W.:
655.84
Type:
Unknown
AlogP:
7.04
Polar Surface Area:
96.71
HBA:
10
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4590682 Name:
5,7-Dihydroxy-2-phenyl-6-((4-(3-(2-(trifluoromethy
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Mol. Formula:
C36H34F3N3O4S
M.W.:
661.75
Type:
Unknown
AlogP:
7.63
Polar Surface Area:
76.48
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4587605 Name:
4-((4-((4-oxo-4-(4-(3-(2-(trifluoromethyl)-10H-phe
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Mol. Formula:
C30H30F3N5O6S
M.W.:
645.66
Type:
Unknown
AlogP:
3.87
Polar Surface Area:
115.29
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4515519 Name:
4-((4-((4-(4-(3-(2-(methylthio)-10H-phenothiazin-1
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Mol. Formula:
C30H33N5O6S2
M.W.:
623.76
Type:
Unknown
AlogP:
3.57
Polar Surface Area:
115.29
HBA:
11
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4514591 Name:
2,2'-((3-(10H-phenothiazin-10-yl)propyl)azanediyl)
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Cas Number:
61852-29-7
Mol. Formula:
C19H24N2O2S
M.W.:
344.48
Type:
Unknown
AlogP:
2.97
Polar Surface Area:
46.94
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
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