Type:
Small moleculeAlogP:
2.54Polar Surface Area:
127.09HBA:
3HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
Small moleculeAlogP:
-0.01Polar Surface Area:
147.32HBA:
4HBD:
6#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
Small moleculeAlogP:
2.90Polar Surface Area:
69.56HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS
Type:
Small moleculeAlogP:
-0.51Polar Surface Area:
160.21HBA:
5HBD:
6#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILS
Type:
Small moleculeAlogP:
0.14Polar Surface Area:
149.21HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS-
Type:
Small moleculeAlogP:
-0.96Polar Surface Area:
142.41HBA:
4HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
1.00Polar Surface Area:
168.41HBA:
5HBD:
6#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
3.01Polar Surface Area:
83.83HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
0.55Polar Surface Area:
153.11HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
0.26Polar Surface Area:
147.32HBA:
4HBD:
6#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA199310
Name:
1-(2-hydroxy-2,2-bis-phosphono-ethyl)-pyridiniumMol. Formula:
C7H12NO7P2+M.W.:
284.12Type:
Small moleculeAlogP:
-1.02Polar Surface Area:
139.17HBA:
3HBD:
5#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
1.51Polar Surface Area:
160.21HBA:
5HBD:
6#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
2.48Polar Surface Area:
135.29HBA:
3HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
2.31Polar Surface Area:
139.17HBA:
3HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
2.87Polar Surface Area:
132.02HBA:
4HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS
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