Compounds

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ALA603479
Name:
2-[(3-Carboxy-bicyclo[2.2.1]hept-5-ene-2-carbonyl)-amino]-4-(4'-chloro-biphShow More⌵
Mol. Formula:
C29H26ClNO5S
M.W.:
536.05
10 activity values
6 unique targets
Type:
Small molecule
AlogP:
6.76
Polar Surface Area:
92.70
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA598217
Name:
4-Biphenyl-4-yl-2-[(3-carboxy-bicyclo[2.2.1]hept-5-ene-2-carbonyl)-amino]-tShow More⌵
Mol. Formula:
C29H27NO5S
M.W.:
501.60
11 activity values
6 unique targets
Type:
Small molecule
AlogP:
6.11
Polar Surface Area:
92.70
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA423837
Name:
4-(8-Bromo-5a,9,9,12a-tetramethyl-dodecahydro-1,5,10-trioxa-benzo[b]heptaleShow More⌵
Mol. Formula:
C30H51BrO6
M.W.:
587.64
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
5.99
Polar Surface Area:
77.38
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA277261
Name:
5'-Bromo-6-{7-hydroxy-7-[5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydro-fShow More⌵
Mol. Formula:
C30H55BrO6
M.W.:
591.67
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
6.05
Polar Surface Area:
88.38
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA23834
Name:
4-[6-(5-Bromo-2,6,6-trimethyl-tetrahydro-pyran-2-yl)-8a-methyl-octahydro-pyShow More⌵
Mol. Formula:
C30H51BrO6
M.W.:
587.64
4 activity values
1 unique targets
Type:
Small molecule
AlogP:
5.99
Polar Surface Area:
77.38
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE