ALA3613794Name:
5-fluoro-2-((3-(pyrimidin-2-yl)pyridin-2-ylamino)methyl)phenolMol. Formula:
C16H13FN4OM.W.:
296.31Type:
Small moleculeAlogP:
3.00Polar Surface Area:
70.93HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA3613793Name:
2-((3-(pyrimidin-2-yl)pyridin-2-ylamino)methyl)phenolMol. Formula:
C16H14N4OM.W.:
278.31Type:
Small moleculeAlogP:
2.86Polar Surface Area:
70.93HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS
Type:
Small moleculeAlogP:
2.94Polar Surface Area:
69.56HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS
Type:
Small moleculeAlogP:
1.70Polar Surface Area:
81.48HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS
Type:
Small moleculeAlogP:
3.66Polar Surface Area:
73.20HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS-
Type:
Small moleculeAlogP:
2.78Polar Surface Area:
88.18HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
2.07Polar Surface Area:
119.95HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
2.52Polar Surface Area:
93.81HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
3.23Polar Surface Area:
96.97HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
1.77Polar Surface Area:
113.32HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
1.00Polar Surface Area:
71.47HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
Small moleculeAlogP:
3.00Polar Surface Area:
101.23HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
1.32Polar Surface Area:
92.05HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
5.78Polar Surface Area:
58.64HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
-0.11Polar Surface Area:
97.73HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
4.08Polar Surface Area:
43.78HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
1.89Polar Surface Area:
105.17HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
2.62Polar Surface Area:
62.62HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
2.70Polar Surface Area:
83.99HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
2.75Polar Surface Area:
83.99HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.57DETAILS
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