Type:
Small moleculeAlogP:
-0.53Polar Surface Area:
109.82HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS
Type:
Small moleculeAlogP:
-0.90Polar Surface Area:
130.31HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA92306Name:
disodium ethoxycarbonylphosphonateCas Number:
72305-00-1Mol. Formula:
C3H5Na2O5PM.W.:
198.02Type:
Small moleculeAlogP:
0.32Polar Surface Area:
83.83HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS
Type:
Small moleculeAlogP:
2.24Polar Surface Area:
83.83HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS
Type:
Small moleculeAlogP:
1.94Polar Surface Area:
93.06HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS-
Type:
Small moleculeAlogP:
2.55Polar Surface Area:
83.83HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA91834
Name:
disodium oxido(phenoxy)phosphinecarboxylate oxideMol. Formula:
C7H5Na2O5PM.W.:
246.07Type:
Small moleculeAlogP:
1.93Polar Surface Area:
83.83HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA91883
Name:
disodium ethoxy(oxido)phosphinecarboxylate oxideCas Number:
55920-24-6Mol. Formula:
C3H5Na2O5PM.W.:
198.02Type:
Small moleculeAlogP:
0.89Polar Surface Area:
83.83HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA90964
Name:
disodium methoxy(oxido)phosphinecarboxylate oxideCas Number:
55920-25-7Mol. Formula:
C2H3Na2O5PM.W.:
184.00Type:
Small moleculeAlogP:
0.50Polar Surface Area:
83.83HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
2.84Polar Surface Area:
83.83HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
2.42Polar Surface Area:
83.83HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
0.71Polar Surface Area:
83.83HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA91500
Name:
methyl diisopropoxyphosphinecarboxylate oxideCas Number:
59682-37-0Mol. Formula:
C8H17O5PM.W.:
224.19Type:
Small moleculeAlogP:
2.80Polar Surface Area:
61.83HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA90437
Name:
methyl dibutoxyphosphinecarboxylate oxideCas Number:
72304-81-5Mol. Formula:
C10H21O5PM.W.:
252.25Type:
Small moleculeAlogP:
3.58Polar Surface Area:
61.83HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
3.58Polar Surface Area:
61.83HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
2.15Polar Surface Area:
72.83HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA314377
Name:
4-methoxyphenyl diethoxyphosphinecarboxylate oxideCas Number:
72305-95-4Mol. Formula:
C12H17O6PM.W.:
288.24Type:
Small moleculeAlogP:
3.46Polar Surface Area:
71.06HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA315606
Name:
4-methylphenyl dimethoxyphosphinecarboxylate oxideCas Number:
72305-97-6Mol. Formula:
C10H13O5PM.W.:
244.18Type:
Small moleculeAlogP:
2.98Polar Surface Area:
61.83HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
1.37Polar Surface Area:
93.06HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
3.63Polar Surface Area:
88.13HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.53DETAILS
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