Type:
---AlogP:
4.28Polar Surface Area:
71.09HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS
Type:
---AlogP:
3.50Polar Surface Area:
71.09HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
---AlogP:
2.62Polar Surface Area:
15.79HBA:
---HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.59DETAILS
Type:
---AlogP:
4.09Polar Surface Area:
100.63HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS
Type:
---AlogP:
3.33Polar Surface Area:
120.08HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.32DETAILS- ALA5175188
Name:
2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acidCas Number:
154-08-5Mol. Formula:
C11H11FN2O2M.W.:
222.22Type:
---AlogP:
1.26Polar Surface Area:
79.11HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA5174895
Name:
3-(5-fluoro-1H-indol-3-yl)propanoic acidCas Number:
7394-78-7Mol. Formula:
C11H10FNO2M.W.:
207.20Type:
---AlogP:
2.32Polar Surface Area:
53.09HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.81DETAILS -
Type:
---AlogP:
5.40Polar Surface Area:
142.17HBA:
7HBD:
5#RO5 Violations:
2#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.09DETAILS - ALA5172209
Name:
(5-(4-methoxyphenyl)-1H-pyrazol-4-yl)methanamineCas Number:
1011404-52-6Mol. Formula:
C11H13N3OM.W.:
203.25Type:
---AlogP:
1.54Polar Surface Area:
63.93HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
-1.46Polar Surface Area:
112.65HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.38DETAILS
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