Compounds

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ALA328010
Name:
(3aS,6S,6aS)-3-Diethoxymethyl-3a,5,6,6a-tetrahydro-furo[2,3-d]isoxazole-5,6Show More⌵
Mol. Formula:
C10H17NO6
M.W.:
247.25
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
-0.78
Polar Surface Area:
89.74
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA96634
Name:
(3aS,4aS,7aS,7bR)-3-Methoxymethyl-6,6-dimethyl-3a,4a,7a,7b-tetrahydro-[1,3]Show More⌵
Mol. Formula:
C10H15NO5
M.W.:
229.23
4 activity values
3 unique targets
Type:
Small molecule
AlogP:
0.26
Polar Surface Area:
58.51
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA320232
Name:
(3aS,4aS,7aS,7bR)-3-Methoxymethoxymethyl-6,6-dimethyl-3a,4a,7a,7b-tetrahydrShow More⌵
Mol. Formula:
C11H17NO6
M.W.:
259.26
4 activity values
3 unique targets
Type:
Small molecule
AlogP:
0.24
Polar Surface Area:
67.74
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA96060
Name:
(3aS,6S,6aS)-3-Hydroxymethyl-3a,5,6,6a-tetrahydro-furo[2,3-d]isoxazole-5,6-Show More⌵
Mol. Formula:
C6H9NO5
M.W.:
175.14
6 activity values
4 unique targets
Type:
Small molecule
AlogP:
-2.19
Polar Surface Area:
91.51
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA93319
Name:
((3aS,4aS,7aS,7bR)-6,6-Dimethyl-3a,4a,7a,7b-tetrahydro-[1,3]dioxolo[4',5':4Show More⌵
Mol. Formula:
C9H13NO5
M.W.:
215.21
11 activity values
3 unique targets
Type:
Small molecule
AlogP:
-0.39
Polar Surface Area:
69.51
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA92967
Name:
(3aS,4aS,7aS,7bR)-6,6-Dimethyl-3a,4a,7a,7b-tetrahydro-[1,3]dioxolo[4',5':4,Show More⌵
Mol. Formula:
C9H11NO5
M.W.:
213.19
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
-0.18
Polar Surface Area:
66.35
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA316072
Name:
(3aS,4aS,7aS,7bR)-3-((4S,5S)-4,5-Diphenyl-imidazolidin-2-yl)-6,6-dimethyl-3Show More⌵
Mol. Formula:
C23H25N3O4
M.W.:
407.47
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.62
Polar Surface Area:
73.34
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA92449
Name:
(3aR,4aR,7aR,7bS)-3-((4S,5S)-4,5-Diphenyl-imidazolidin-2-yl)-6,6-dimethyl-3Show More⌵
Mol. Formula:
C23H25N3O4
M.W.:
407.47
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.62
Polar Surface Area:
73.34
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE