Compounds

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ALA1090340
Name:
(R)-4-[3beta-Agammaetoxy-28-norlup-20(29)-en-17bet
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Mol. Formula:
C34H52O3
M.W.:
508.79

15 activity values

13 unique targets
Type:
Small molecule
AlogP:
8.14
Polar Surface Area:
35.53
HBA:
3
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA1090331
Name:
(R)-4-[3beta-tert-Butyloxy-28-norlup-20(29)-en-17b
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Mol. Formula:
C38H60O3
M.W.:
564.90

15 activity values

13 unique targets
Type:
Small molecule
AlogP:
9.70
Polar Surface Area:
35.53
HBA:
3
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA590722
Name:
2-((R)-[3beta-Acetoxy-28-norlup-20(29)-en-17betayl
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Mol. Formula:
C36H54O4
M.W.:
550.82

15 activity values

13 unique targets
Type:
Small molecule
AlogP:
8.45
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA590488
Name:
(3S,2R)-3-[3beta-Acetoxy-28-norlup-20(29)-en-17bet
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Mol. Formula:
C36H56O5
M.W.:
568.84

15 activity values

13 unique targets
Type:
Small molecule
AlogP:
7.91
Polar Surface Area:
65.13
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE