Type:
UnknownAlogP:
4.23Polar Surface Area:
29.10HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS
Type:
UnknownAlogP:
4.10Polar Surface Area:
38.33HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
---AlogP:
-1.58Polar Surface Area:
340.24HBA:
19HBD:
8#RO5 Violations:
3#Rotatable Bonds:
24Passes Ro3:
NQED Weighted:
0.04DETAILS
Type:
Small moleculeAlogP:
4.45Polar Surface Area:
83.12HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
Small moleculeAlogP:
2.42Polar Surface Area:
25.78HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.69DETAILS- ALA3818866
Name:
5-(2,4-Difluorophenyl)pyrimidineCas Number:
914349-43-2Mol. Formula:
C10H6F2N2M.W.:
192.17Type:
Small moleculeAlogP:
2.42Polar Surface Area:
25.78HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.69DETAILS - ALA3818068
Name:
5-(4-Fluorophenyl)pyrimidineCas Number:
68049-21-8Mol. Formula:
C10H7FN2M.W.:
174.18Type:
Small moleculeAlogP:
2.28Polar Surface Area:
25.78HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.66DETAILS - ALA3818904
Name:
5-(3-Fluorophenyl)pyrimidineCas Number:
68049-20-7Mol. Formula:
C10H7FN2M.W.:
174.18Type:
Small moleculeAlogP:
2.28Polar Surface Area:
25.78HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
2.28Polar Surface Area:
25.78HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.66DETAILS - ALA3806212
Name:
N-(Purin-6-yl)-glycyl-(S)-glutamic acid hydrateMol. Formula:
C12H16N6O6M.W.:
340.30Type:
Small moleculeAlogP:
-0.80Polar Surface Area:
170.19HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
0.09Polar Surface Area:
132.89HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
0.38Polar Surface Area:
132.89HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
-0.01Polar Surface Area:
132.89HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA3805255
Name:
N-(Purin-6-yl)-glycyl-(S)-phenylalanine hydrateMol. Formula:
C16H18N6O4M.W.:
358.36Type:
Small moleculeAlogP:
0.58Polar Surface Area:
132.89HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
-0.65Polar Surface Area:
132.89HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
-0.62Polar Surface Area:
148.19HBA:
9HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA3804887
Name:
Methyl N-(purin-6-yl)-glycyl-(S)-methioninateMol. Formula:
C13H18N6O3SM.W.:
338.39Type:
Small moleculeAlogP:
0.18Polar Surface Area:
121.89HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
0.47Polar Surface Area:
121.89HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
0.08Polar Surface Area:
121.89HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA3806312
Name:
Methyl N-(purin-6-yl)-glycyl-(S)-phenylalaninateMol. Formula:
C17H18N6O3M.W.:
354.37Type:
Small moleculeAlogP:
0.67Polar Surface Area:
121.89HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.53DETAILS
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