Type:
Small moleculeAlogP:
-1.22Polar Surface Area:
237.58HBA:
8HBD:
7#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.16DETAILS
Type:
Small moleculeAlogP:
-1.52Polar Surface Area:
237.58HBA:
8HBD:
7#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.16DETAILS
Type:
Small moleculeAlogP:
-1.40Polar Surface Area:
228.35HBA:
7HBD:
7#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.24DETAILS
Type:
Small moleculeAlogP:
0.56Polar Surface Area:
124.29HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS
Type:
Small moleculeAlogP:
-0.18Polar Surface Area:
208.12HBA:
6HBD:
6#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILS-
Type:
Small moleculeAlogP:
-0.92Polar Surface Area:
237.58HBA:
8HBD:
7#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
0.53Polar Surface Area:
141.36HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
-0.24Polar Surface Area:
167.66HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
-0.12Polar Surface Area:
130.85HBA:
3HBD:
5#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
-0.37Polar Surface Area:
124.29HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
-1.40Polar Surface Area:
228.35HBA:
7HBD:
7#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
-1.87Polar Surface Area:
222.36HBA:
7HBD:
7#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
-1.62Polar Surface Area:
124.09HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA96010
Name:
[nitroso(phosphonomethyl)amino]acetic acidCas Number:
56516-72-4Mol. Formula:
C3H7N2O6PM.W.:
198.07Type:
Small moleculeAlogP:
-0.81Polar Surface Area:
127.50HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
-0.82Polar Surface Area:
106.86HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA330434
Name:
(1-Phosphono-ethylamino)-acetic acidCas Number:
84044-01-9Mol. Formula:
C4H10NO5PM.W.:
183.10Type:
Small moleculeAlogP:
-0.82Polar Surface Area:
106.86HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
-0.91Polar Surface Area:
86.63HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
-0.89Polar Surface Area:
124.29HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
-1.43Polar Surface Area:
150.31HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA98618
Name:
(Phosphonomethyl-amino)-acetic acid methyl esterCas Number:
39600-44-7Mol. Formula:
C4H10NO5PM.W.:
183.10Type:
Small moleculeAlogP:
-1.12Polar Surface Area:
95.86HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.38DETAILS
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