Compounds

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ALA5269266
Name:
1-ethyl 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)adamantane-1,3-dicarShow More⌵
Mol. Formula:
C23H37NO5
M.W.:
407.55

Type:
---
AlogP:
4.09
Polar Surface Area:
76.07
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4089402
Name:
((R)-3-Methyl-1-((S)-3-phenyl-2-(1,2,3,4-tetrahydroisoquinoline-2-carboxamiShow More⌵
Mol. Formula:
C24H32BN3O4
M.W.:
437.35
79 activity values
17 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA220739
Name:
(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-1-(piperazin-1-yl)-4-((2S,3R,4S,5R,6R)-3Show More⌵
Mol. Formula:
C16H30N2O11
M.W.:
426.42
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
-6.32
Polar Surface Area:
212.64
HBA:
12
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
5,10,15,20-Tetrakis(4-aminophenyl)porphyrin
Name:
5,10,15,20-tetra(4-aminophenyl)porphyrin
Mol. Formula:
C44H34N8
M.W.:
674.81
18 activity values
7 unique targets
Type:
Small molecule
AlogP:
9.65
Polar Surface Area:
161.44
HBA:
6
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA220586
Name:
5,10,15,20-tetra[4-(4'-galactosylpiperazinyl)phenyl]porphyrin
Mol. Formula:
C108H142N12O44
M.W.:
2312.36
13 activity values
5 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA12043
Name:
Copper complex with 1,4,7,10-tetrakis(2-cyanolethyl-)-l,4,7,10-tetraazacyclShow More⌵
Mol. Formula:
C20H34CuN8O+4
M.W.:
466.09

Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE