Compounds

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ALA4297862
Name:
BOTULINUM TOXIN TYPE A

Mol. Formula:
M.W.:

Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4297727
Name:
CHOLINE MAGNESIUM TRISALICYLATE

Mol. Formula:
M.W.:

Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4297558
Name:
INOTUZUMAB

Mol. Formula:
M.W.:

Type:
Antibody
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4297285
Name:
HEME ARGINATE

Mol. Formula:
C40H48FeN8O6+2
M.W.:
792.72

Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3989750
Name:
GLUCOSAMINE SULFATE

Mol. Formula:
C12H28N2O14S
M.W.:
456.42

Type:
Small molecule
AlogP:
-3.25
Polar Surface Area:
116.17
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA2095223
Name:
CHLOROQUINE SULPHATE

Cas Number:
132-73-0

Mol. Formula:
C18H28ClN3O4S
M.W.:
417.96

Type:
Small molecule
AlogP:
4.81
Polar Surface Area:
28.16
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA1199324
Name:
FOSAPREPITANT

Cas Number:
172673-20-0

Mol. Formula:
C23H22F7N4O6P
M.W.:
614.41

5 activity values

3 unique targets
Type:
Small molecule
AlogP:
4.37
Polar Surface Area:
129.91
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE