ALA5207999Name:
9-(4-Aminobutyl)-6-(benzyloxy)-9H-purin-2-amineMol. Formula:
C16H20N6OM.W.:
312.38Type:
---AlogP:
1.73Polar Surface Area:
104.87HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.64DETAILS
Type:
---AlogP:
3.96Polar Surface Area:
123.74HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.25DETAILS
Type:
---AlogP:
3.06Polar Surface Area:
116.23HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.33DETAILS
Type:
---AlogP:
6.46Polar Surface Area:
113.00HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.16DETAILS
Type:
UnknownAlogP:
1.51Polar Surface Area:
89.71HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS-
Type:
UnknownAlogP:
1.38Polar Surface Area:
107.16HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
5.51Polar Surface Area:
122.22HBA:
9HBD:
1#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
4.41Polar Surface Area:
91.65HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
4.10Polar Surface Area:
94.89HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
1.95Polar Surface Area:
130.19HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
4.10Polar Surface Area:
159.29HBA:
9HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
4.66Polar Surface Area:
151.45HBA:
9HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
4.62Polar Surface Area:
154.25HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
4.46Polar Surface Area:
142.22HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
4.93Polar Surface Area:
159.29HBA:
10HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
Small moleculeAlogP:
5.49Polar Surface Area:
151.45HBA:
10HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
5.44Polar Surface Area:
154.25HBA:
10HBD:
4#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
5.29Polar Surface Area:
142.22HBA:
9HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.16DETAILS - ALA1683163
Name:
2-Amino-4-benzyloxy-6-morpholino-5-nitropyrimidineMol. Formula:
C15H17N5O4M.W.:
331.33Type:
Small moleculeAlogP:
1.38Polar Surface Area:
116.64HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
2.21Polar Surface Area:
116.64HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS
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