Compounds

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ALA4757433
Name:
(S)-2-((S)-2-((S)-1-((S)-2-amino-5-guanidinopentan
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Mol. Formula:
C26H42N10O5
M.W.:
574.69

1 activity values

1 unique targets
Type:
Unknown
AlogP:
-1.87
Polar Surface Area:
265.63
HBA:
7
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.06
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ALA4083814
Name:
4-(2-methylpropyl)benzoic acid

Cas Number:
38861-88-0

Mol. Formula:
C11H14O2
M.W.:
178.23

7 activity values

3 unique targets
Type:
Small molecule
AlogP:
2.58
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.77
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ALA4080879
Name:
2-fluoro-2-[4-(2-methylpropyl)phenyl]acetic acid

Mol. Formula:
C12H15FO2
M.W.:
210.25

6 activity values

3 unique targets
Type:
Small molecule
AlogP:
2.98
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
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