Type:
Small moleculeAlogP:
-0.91Polar Surface Area:
279.13HBA:
15HBD:
7#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.15DETAILS
ALA3142845Name:
Adenosine 5'-triphosphate derivativeCas Number:
30993-48-7Mol. Formula:
C11H18N5O13P3M.W.:
521.21Type:
Small moleculeAlogP:
-0.97Polar Surface Area:
268.13HBA:
14HBD:
6#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.22DETAILS
ALA3142844Name:
Adenosine 5'-triphosphate derivativeCas Number:
30948-06-2Mol. Formula:
C11H18N5O13P3M.W.:
521.21Type:
Small moleculeAlogP:
-0.97Polar Surface Area:
268.13HBA:
14HBD:
6#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.22DETAILS
Type:
Small moleculeAlogP:
-0.46Polar Surface Area:
279.13HBA:
14HBD:
7#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.18DETAILS
Type:
Small moleculeAlogP:
-0.46Polar Surface Area:
279.13HBA:
14HBD:
7#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.18DETAILS-
Type:
Small moleculeAlogP:
-0.16Polar Surface Area:
279.13HBA:
15HBD:
7#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
-2.64Polar Surface Area:
356.28HBA:
16HBD:
9#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
Small moleculeAlogP:
-1.66Polar Surface Area:
333.22HBA:
16HBD:
9#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
-2.08Polar Surface Area:
336.02HBA:
15HBD:
10#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
-2.06Polar Surface Area:
281.93HBA:
13HBD:
8#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
0.64Polar Surface Area:
253.11HBA:
14HBD:
6#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
0.00Polar Surface Area:
265.14HBA:
14HBD:
7#RO5 Violations:
3#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
-1.59Polar Surface Area:
291.16HBA:
15HBD:
8#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
-1.66Polar Surface Area:
284.92HBA:
14HBD:
7#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.20DETAILS - ALA48185
Name:
2-Methylamino-4-methylsulfanyl-butyric acidCas Number:
42537-72-4Mol. Formula:
C6H13NO2SM.W.:
163.24Type:
Small moleculeAlogP:
0.41Polar Surface Area:
49.33HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA291210
Name:
2-Amino-3-methyl-4-methylsulfanyl-butyric acidCas Number:
103129-21-1Mol. Formula:
C6H13NO2SM.W.:
163.24Type:
Small moleculeAlogP:
0.40Polar Surface Area:
63.32HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
1.58Polar Surface Area:
49.33HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
-0.99Polar Surface Area:
75.35HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
0.93Polar Surface Area:
63.32HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
0.54Polar Surface Area:
63.32HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS
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