Type:
---AlogP:
-3.36Polar Surface Area:
298.64HBA:
14HBD:
8#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.14DETAILS
Type:
---AlogP:
3.74Polar Surface Area:
94.03HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
---AlogP:
3.56Polar Surface Area:
94.03HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.40DETAILS
Type:
---AlogP:
3.20Polar Surface Area:
117.40HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.28DETAILS
Type:
---AlogP:
3.64Polar Surface Area:
111.10HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.32DETAILS-
Type:
Small moleculeAlogP:
1.67Polar Surface Area:
127.45HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
2.25Polar Surface Area:
83.47HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
2.19Polar Surface Area:
83.47HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
3.86Polar Surface Area:
83.47HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
3.35Polar Surface Area:
83.47HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
4.56Polar Surface Area:
109.77HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
4.08Polar Surface Area:
120.77HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
4.24Polar Surface Area:
83.47HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA3769794
Name:
(S)-3-Methyl 2-(2-oxohexadecanamido)butanoic acidMol. Formula:
C21H39NO4M.W.:
369.55Type:
Small moleculeAlogP:
4.87Polar Surface Area:
83.47HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA3769765
Name:
2-Methyl 2-(2-oxo-hexadecanoylamino)propanoic acidMol. Formula:
C20H37NO4M.W.:
355.52Type:
Small moleculeAlogP:
4.63Polar Surface Area:
83.47HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
5.26Polar Surface Area:
83.47HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
4.72Polar Surface Area:
74.68HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
2.30Polar Surface Area:
137.07HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
2.79Polar Surface Area:
107.97HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
-4.13Polar Surface Area:
406.37HBA:
12HBD:
12#RO5 Violations:
3#Rotatable Bonds:
24Passes Ro3:
NQED Weighted:
0.04DETAILS
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