Type:
UnknownAlogP:
0.63Polar Surface Area:
133.52HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS
ALA5092991Name:
biphenyl-2,3',4,5',6-pentakisphosphateCas Number:
943545-68-4Mol. Formula:
C12H15O20P5M.W.:
634.10Type:
UnknownAlogP:
0.71Polar Surface Area:
333.80HBA:
10HBD:
10#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.15DETAILS
Type:
UnknownAlogP:
1.03Polar Surface Area:
285.50HBA:
10HBD:
8#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.12DETAILS
Type:
UnknownAlogP:
0.18Polar Surface Area:
400.56HBA:
12HBD:
12#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.12DETAILS
ALA5081948Name:
6,6'-difluoro biphenyl-3,3',4,4'-tetrakisphosphateMol. Formula:
C12H12F2O16P4M.W.:
574.10Type:
UnknownAlogP:
1.52Polar Surface Area:
267.04HBA:
8HBD:
8#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.20DETAILS-
Type:
UnknownAlogP:
-0.03Polar Surface Area:
419.02HBA:
14HBD:
12#RO5 Violations:
3#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
UnknownAlogP:
0.18Polar Surface Area:
400.56HBA:
12HBD:
12#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
UnknownAlogP:
-0.19Polar Surface Area:
220.51HBA:
7HBD:
7#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
UnknownAlogP:
-0.43Polar Surface Area:
267.04HBA:
8HBD:
8#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
UnknownAlogP:
0.10Polar Surface Area:
200.28HBA:
6HBD:
6#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA4473747
Name:
Benzene 1,2,4-trisphosphateCas Number:
147527-30-8Mol. Formula:
C6H9O12P3M.W.:
366.05Type:
UnknownAlogP:
0.10Polar Surface Area:
200.28HBA:
6HBD:
6#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
UnknownAlogP:
-0.43Polar Surface Area:
267.04HBA:
8HBD:
8#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
UnknownAlogP:
0.10Polar Surface Area:
200.28HBA:
6HBD:
6#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
4.10Polar Surface Area:
51.97HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
6.27Polar Surface Area:
45.91HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
5.19Polar Surface Area:
51.14HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
5.19Polar Surface Area:
42.35HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
5.17Polar Surface Area:
35.01HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
4.47Polar Surface Area:
51.97HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
4.52Polar Surface Area:
104.17HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS
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