Compounds

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ALA3093933
Name:
(2S,4R)-1-benzoyl-N-(1-cyanocyclopropyl)-4-(phenyl
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Mol. Formula:
C22H21N3O4S
M.W.:
423.49

6 activity values

6 unique targets
Type:
Small molecule
AlogP:
1.92
Polar Surface Area:
107.34
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA508319
Name:
2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim
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Mol. Formula:
C28H36N6O
M.W.:
472.64

10 activity values

7 unique targets
Type:
Small molecule
AlogP:
4.12
Polar Surface Area:
93.94
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA455912
Name:
2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim
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Mol. Formula:
C28H36N6O
M.W.:
472.64

10 activity values

7 unique targets
Type:
Small molecule
AlogP:
4.17
Polar Surface Area:
93.94
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA443161
Name:
2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim
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Mol. Formula:
C33H38N6O2
M.W.:
550.71

8 activity values

5 unique targets
Type:
Small molecule
AlogP:
6.12
Polar Surface Area:
103.17
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE