Type:
Small moleculeAlogP:
1.24Polar Surface Area:
126.18HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.51DETAILS
Type:
Small moleculeAlogP:
0.85Polar Surface Area:
126.18HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS
Type:
Small moleculeAlogP:
1.46Polar Surface Area:
126.18HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
Small moleculeAlogP:
0.81Polar Surface Area:
126.18HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS
Type:
Small moleculeAlogP:
0.81Polar Surface Area:
126.18HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS-
Type:
Small moleculeAlogP:
0.81Polar Surface Area:
126.18HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA2251816
Name:
1-(pyridin-3-yl)propane-2,2-diyldiphosphonic acidMol. Formula:
C8H13NO6P2M.W.:
281.14Type:
Small moleculeAlogP:
0.70Polar Surface Area:
127.95HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA2251815
Name:
[[(Prop-2-ynyl)phosphinyl]methyl]phosphonic acidMol. Formula:
C4H8O6P2M.W.:
214.05Type:
Small moleculeAlogP:
-0.04Polar Surface Area:
104.06HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
0.13Polar Surface Area:
137.08HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
-0.26Polar Surface Area:
137.08HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
-0.79Polar Surface Area:
133.52HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA2251811
Name:
Pent-4-ynyl diphosphateCas Number:
1227924-61-9Mol. Formula:
C5H10O7P2M.W.:
244.08Type:
Small moleculeAlogP:
0.63Polar Surface Area:
113.29HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
0.24Polar Surface Area:
113.29HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
-0.15Polar Surface Area:
113.29HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS
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