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ALA5288331 Name:
Cruentaren B
Mol. Formula:
C33H51NO8
M.W.:
589.77
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Type:
---
AlogP:
4.31
Polar Surface Area:
145.55
HBA:
8
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5196265 Name:
2,2-dimethyl-3-((4-(((3-(trifluoromethyl)phenyl)selanyl)methyl)-1H-1,2,3-trShow More⌵
Mol. Formula:
C25H20F3N3O3Se
M.W.:
546.41
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5209241 Name:
3-(4-(((4-chlorophenyl)selanyl)methyl)-1H-1,2,3-triazol-1-yl)-2,2-dimethyl-Show More⌵
Mol. Formula:
C23H18ClN3O3Se
M.W.:
498.83
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5208391 Name:
3-(4-(((4-bromophenyl)selanyl)methyl)-1H-1,2,3-triazol-1-yl)-2,2-dimethyl-2Show More⌵
Mol. Formula:
C23H18BrN3O3Se
M.W.:
543.28
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5205958 Name:
2,2-dimethyl-3-((4-((naphthalen-1-ylselanyl)methyl)-2,3-dihydro-1H-1,2,3-trShow More⌵
Mol. Formula:
C28H23N3O3Se
M.W.:
528.47
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5205768 Name:
3-(4-(((4-bromophenyl)(1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)methyl)-1Show More⌵
Mol. Formula:
C33H23BrN4O5
M.W.:
635.47
Type:
---
AlogP:
5.54
Polar Surface Area:
111.46
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5205418 Name:
3-(azidomethyl)-2,2-dimethyl-2,3-dihydronaphtho[1,2-b]furan-4,5-dione
Mol. Formula:
C15H13N3O3
M.W.:
283.29
Type:
---
AlogP:
2.90
Polar Surface Area:
92.13
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5204840 Name:
3-(4-(((1,4-dioxo-1,4-dihydronaphthalen-2-yl)(phenyl)amino)methyl)-1H-1,2,3Show More⌵
Mol. Formula:
C33H24N4O5
M.W.:
556.58
Type:
---
AlogP:
4.77
Polar Surface Area:
111.46
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5204509 Name:
2-((4-(((4-fluorophenyl)selanyl)methyl)-1H-1,2,3-triazol-1-yl)methyl)-2,3-dShow More⌵
Mol. Formula:
C22H16FN3O3Se
M.W.:
468.35
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5204468 Name:
2,2-dimethyl-3-(4-(((thiophen-2-yl)selanyl)methyl)-1H-1,2,3-triazol-1-yl)-2Show More⌵
Mol. Formula:
C21H17N3O3SSe
M.W.:
470.41
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5204248 Name:
3-((4-(((4-fluorophenyl)selanyl)methyl)-1H-1,2,3-triazol-1-yl)methyl)-2,2-dShow More⌵
Mol. Formula:
C24H20FN3O3Se
M.W.:
496.40
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5203366 Name:
2,2-dimethyl-3-((4-((phenylselanyl)methyl)-1H-1,2,3-triazol-1-yl)methyl)-2,Show More⌵
Mol. Formula:
C24H21N3O3Se
M.W.:
478.41
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5202987 Name:
2-((4-(((1,4-dioxo-1,4-dihydronaphthalen-2-yl)(phenyl)amino)methyl)-1H-1,2,Show More⌵
Mol. Formula:
C32H22N4O5
M.W.:
542.55
Type:
---
AlogP:
4.21
Polar Surface Area:
111.46
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5202620 Name:
3-(4-(((1,4-dioxo-1,4-dihydronaphthalen-2-yl)(4-iodophenyl)amino)methyl)-1HShow More⌵
Mol. Formula:
C33H23IN4O5
M.W.:
682.47
Type:
---
AlogP:
5.38
Polar Surface Area:
111.46
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5202367 Name:
3-(4-((benzylselanyl)methyl)-1H-1,2,3-triazol-1-yl)-2,2-dimethyl-2,3-dihydrShow More⌵
Mol. Formula:
C24H21N3O3Se
M.W.:
478.41
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5201335 Name:
3-((4-(((4-chlorophenyl)selanyl)methyl)-1H-1,2,3-triazol-1-yl)methyl)-2,2-dShow More⌵
Mol. Formula:
C25H22ClN3O3Se
M.W.:
526.88
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5201285 Name:
2-((4-(((4-acetylphenyl)(1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)methyl)Show More⌵
Mol. Formula:
C34H24N4O6
M.W.:
584.59
Type:
---
AlogP:
4.42
Polar Surface Area:
128.53
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5200936 Name:
2,2-dimethyl-3-(4-((p-tolylselanyl)methyl)-1H-1,2,3-triazol-1-yl)-2,3-dihydShow More⌵
Mol. Formula:
C24H21N3O3Se
M.W.:
478.41
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5200877 Name:
(3S,4R)-4-(4-(((4-acetylphenyl)(1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)Show More⌵
Mol. Formula:
C36H27BrN4O6
M.W.:
691.54
Type:
---
AlogP:
5.74
Polar Surface Area:
128.53
HBA:
10
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA5200038 Name:
2,2-dimethyl-3-((4-((thiophen-2-ylselanyl)methyl)-1H-1,2,3-triazol-1-yl)metShow More⌵
Mol. Formula:
C22H19N3O3SSe
M.W.:
484.44
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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