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ALA5093974 Name:
3-(6-(((5-amino-1,3,4-thiadiazol-2-yl)amino)methyl)-1-(1-(1,3-dimethyl-1H-pShow More⌵
Mol. Formula:
C28H32ClN9S2
M.W.:
594.21
Type:
Unknown
AlogP:
4.87
Polar Surface Area:
115.84
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5093613 Name:
3-(6-((3-methylureido)methyl)-1-(1-((trifluoromethyl)sulfonyl)piperidin-4-yShow More⌵
Mol. Formula:
C24H26F3N5O3S2
M.W.:
553.63
Type:
Unknown
AlogP:
3.86
Polar Surface Area:
109.46
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5091776 Name:
N-((3-(3-carbamothioylphenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)-1H-indolShow More⌵
Mol. Formula:
C32H43N5O3S2
M.W.:
609.86
Type:
Unknown
AlogP:
4.67
Polar Surface Area:
100.67
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5091720 Name:
3-(6-(((5-amino-1,3,4-thiadiazol-2-yl)amino)methyl)-1-(2-methyltetrahydro-2Show More⌵
Mol. Formula:
C24H26N6OS2
M.W.:
478.65
Type:
Unknown
AlogP:
4.73
Polar Surface Area:
104.01
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5090232 Name:
3-(6-amino-1-(3-methyl-1-(methylsulfonyl)piperidin-4-yl)-1H-indol-3-yl)benzShow More⌵
Mol. Formula:
C22H26N4O2S2
M.W.:
442.61
Type:
Unknown
AlogP:
3.37
Polar Surface Area:
94.35
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5090220 Name:
3-(6-(((5-amino-4H-1,2,4-triazol-3-yl)amino)methyl)-1-(tetrahydro-2H-pyran-Show More⌵
Mol. Formula:
C23H26ClN7OS
M.W.:
484.03
Type:
Unknown
AlogP:
3.61
Polar Surface Area:
119.80
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5090089 Name:
N-(3-(3-carbamothioylphenyl)-1-(1-((trifluoromethyl)sulfonyl)piperidin-4-ylShow More⌵
Mol. Formula:
C46H64F3N7O11S3
M.W.:
1044.25
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5089081 Name:
N-((3-(3-carbamothioylphenyl)-1-(3-methyl-1-(methylsulfonyl)piperidin-4-yl)Show More⌵
Mol. Formula:
C28H35N5O3S2
M.W.:
553.75
Type:
Unknown
AlogP:
2.96
Polar Surface Area:
100.67
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5088996 Name:
3-(6-(((5-amino-1,3,4-thiadiazol-2-yl)amino)methyl)-1-(1-(thiazol-2-yl)pipeShow More⌵
Mol. Formula:
C26H26N8S3
M.W.:
546.75
Type:
Unknown
AlogP:
5.29
Polar Surface Area:
110.91
HBA:
10
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5088941 Name:
N-(3-(3-carbamothioylphenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)-1H-indol-Show More⌵
Mol. Formula:
C50H75N7O13S3
M.W.:
1078.39
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5088773 Name:
N-((3-(3-carbamothioylphenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)-1H-indolShow More⌵
Mol. Formula:
C29H37N5O4S2
M.W.:
583.78
Type:
Unknown
AlogP:
2.73
Polar Surface Area:
109.90
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5088422 Name:
N-(3-(3-carbamothioylphenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)-1H-indol-Show More⌵
Mol. Formula:
C25H30N4O4S2
M.W.:
514.67
Type:
Unknown
AlogP:
3.51
Polar Surface Area:
106.66
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5088124 Name:
3-(6-(((5-amino-1,3,4-thiadiazol-2-yl)amino)methyl)-1-(1-(isopropylsulfonylShow More⌵
Mol. Formula:
C26H31N7O2S3
M.W.:
569.78
Type:
Unknown
AlogP:
4.36
Polar Surface Area:
132.16
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5087893 Name:
N-((3-(3-carbamothioylphenyl)-1-(4,4-difluorocyclohexyl)-1H-indol-6-yl)methShow More⌵
Mol. Formula:
C26H29ClF2N4OS
M.W.:
519.06
Type:
Unknown
AlogP:
4.53
Polar Surface Area:
72.08
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5087846 Name:
N-(3-(3-carbamothioylphenyl)-1-(4,4-difluorocyclohexyl)-1H-indol-6-yl)-9-(5Show More⌵
Mol. Formula:
C42H49F2N5O3S2
M.W.:
774.02
Type:
Unknown
AlogP:
9.56
Polar Surface Area:
109.46
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA5086723 Name:
N-((3-(3-carbamothioylphenyl)-1-(1-((3-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-tShow More⌵
Mol. Formula:
C43H50N8O5S3
M.W.:
855.12
Type:
Unknown
AlogP:
5.55
Polar Surface Area:
183.45
HBA:
8
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA5086700 Name:
3-(4-methoxy-1H-indol-3-yl)benzothioamide
Mol. Formula:
C16H14N2OS
M.W.:
282.37
Type:
Unknown
AlogP:
3.48
Polar Surface Area:
51.04
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5086292 Name:
N-(3-(3-carbamothioylphenyl)-1-(3-fluoro-2-(fluoromethyl)propyl)-1H-indol-6Show More⌵
Mol. Formula:
C23H25F2N3O2S
M.W.:
445.54
Type:
Unknown
AlogP:
4.47
Polar Surface Area:
69.28
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5086174 Name:
3-(6-amino-1-(2-methyl-1-(methylsulfonyl)piperidin-4-yl)-1H-indol-3-yl)benzShow More⌵
Mol. Formula:
C22H26N4O2S2
M.W.:
442.61
Type:
Unknown
AlogP:
3.51
Polar Surface Area:
94.35
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5085540 Name:
N-(3-(3-carbamothioylphenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)-1H-indol-Show More⌵
Mol. Formula:
C42H59N7O9S3
M.W.:
902.17
Type:
Unknown
AlogP:
3.78
Polar Surface Area:
204.58
HBA:
12
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
25
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
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