Compounds

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ALA456770
Name:
threo-23-O-Methylneocyclocitrinol

Mol. Formula:
C26H38O4
M.W.:
414.59

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
4.37
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA524981
Name:
Neocyclocitrinol C

Mol. Formula:
C25H36O4
M.W.:
400.56

24 activity values

19 unique targets
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
77.76
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA497296
Name:
Neocyclocitrinol B

Mol. Formula:
C25H36O4
M.W.:
400.56

20 activity values

19 unique targets
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
77.76
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA523073
Name:
cyclocitrinol

Mol. Formula:
C25H36O4
M.W.:
400.56

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
77.76
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA496266
Name:
24-epi-cyclocitrinol

Mol. Formula:
C25H36O4
M.W.:
400.56

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
77.76
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE