Type:
Small moleculeAlogP:
2.41Polar Surface Area:
261.75HBA:
16HBD:
6#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.10DETAILS
Type:
Small moleculeAlogP:
2.71Polar Surface Area:
241.52HBA:
15HBD:
5#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.11DETAILS
Type:
Small moleculeAlogP:
-1.81Polar Surface Area:
175.89HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.19DETAILS
ALA3706541Name:
Phosphamide mustard conjugateCas Number:
145784-68-5Mol. Formula:
C24H43N8O14PS2M.W.:
762.76Type:
Small moleculeAlogP:
-4.43Polar Surface Area:
384.20HBA:
13HBD:
12#RO5 Violations:
3#Rotatable Bonds:
27Passes Ro3:
NQED Weighted:
0.03DETAILS
Type:
Small moleculeAlogP:
1.23Polar Surface Area:
75.79HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.38DETAILS- ALA3706539
Name:
4-Glutathionyl cyclophosphamideCas Number:
77273-67-7Mol. Formula:
C17H30Cl2N5O8PSM.W.:
566.40Type:
Small moleculeAlogP:
-0.18Polar Surface Area:
200.39HBA:
8HBD:
6#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA3706538
Name:
Imino cyclophosphamideCas Number:
84489-09-8Mol. Formula:
C7H13Cl2N2O2PM.W.:
259.07Type:
Small moleculeAlogP:
2.37Polar Surface Area:
41.90HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
7.27Polar Surface Area:
89.61HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
2.99Polar Surface Area:
154.84HBA:
13HBD:
3#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
2.49Polar Surface Area:
232.73HBA:
15HBD:
4#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
2.28Polar Surface Area:
235.89HBA:
15HBD:
5#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
2.44Polar Surface Area:
241.52HBA:
15HBD:
5#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
Small moleculeAlogP:
2.23Polar Surface Area:
244.68HBA:
15HBD:
6#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
2.06Polar Surface Area:
186.98HBA:
8HBD:
6#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
2.06Polar Surface Area:
186.98HBA:
8HBD:
6#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
2.71Polar Surface Area:
78.59HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
0.29Polar Surface Area:
122.38HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
3.69Polar Surface Area:
160.96HBA:
7HBD:
5#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.19DETAILS
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