Compounds

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ALA143453
Name:
5-hydroxymethyl-2-isopropyl-10,10,13,13-tetramethyl-(2S,5S)-2,3,4,5,6,8,10,Show More⌵
Mol. Formula:
C24H35N3O2
M.W.:
397.56
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
3.99
Polar Surface Area:
77.15
HBA:
3
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
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ALA120645
Name:
(10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3,9,12-triaza-tricyclo[6.6Show More⌵
Mol. Formula:
C17H25N3O2
M.W.:
303.41
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
1.54
Polar Surface Area:
64.60
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA279860
Name:
2,11-Dihydroxy-perylene-3,10-dione
Mol. Formula:
C20H10O4
M.W.:
314.30
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
3.31
Polar Surface Area:
74.60
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA13221
Name:
(2R,3R,4S)-2-Hydroxymethyl-5-oxo-4-tetradecyl-tetrahydro-furan-3-carboxylicShow More⌵
Mol. Formula:
C21H38O5
M.W.:
370.53
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.54
Polar Surface Area:
72.83
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE