ALA5208481Name:
(E/Z)-2-(2-buten-1-yl)-3-hydroxy-1,4-naphthoquinoneMol. Formula:
C14H12O3M.W.:
228.25Type:
---AlogP:
2.84Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.79DETAILS
Type:
---AlogP:
3.01Polar Surface Area:
71.44HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS
Type:
---AlogP:
2.96Polar Surface Area:
105.20HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.33DETAILS
Type:
UnknownAlogP:
6.33Polar Surface Area:
75.97HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.33DETAILS
ALA4457175Name:
6-N-[3-chloro-4-(3-fluorobenzyloxy)phenyl]-8-(furan-2-yl)-9H-purin-6-amineMol. Formula:
C22H15ClFN5O2M.W.:
435.85Type:
UnknownAlogP:
5.73Polar Surface Area:
88.86HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS-
Type:
Small moleculeAlogP:
2.90Polar Surface Area:
146.82HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
3.49Polar Surface Area:
206.58HBA:
9HBD:
3#RO5 Violations:
1#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
2.14Polar Surface Area:
183.84HBA:
9HBD:
4#RO5 Violations:
1#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
2.81Polar Surface Area:
146.82HBA:
10HBD:
3#RO5 Violations:
1#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
1.87Polar Surface Area:
167.05HBA:
10HBD:
3#RO5 Violations:
1#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
2.89Polar Surface Area:
212.37HBA:
9HBD:
3#RO5 Violations:
1#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
3.01Polar Surface Area:
172.84HBA:
10HBD:
3#RO5 Violations:
1#Rotatable Bonds:
24Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
Small moleculeAlogP:
1.72Polar Surface Area:
153.64HBA:
9HBD:
3#RO5 Violations:
1#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
5.23Polar Surface Area:
182.17HBA:
10HBD:
2#RO5 Violations:
2#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
3.58Polar Surface Area:
195.58HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
Small moleculeAlogP:
4.69Polar Surface Area:
169.28HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
Small moleculeAlogP:
1.84Polar Surface Area:
172.84HBA:
10HBD:
3#RO5 Violations:
1#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
3.43Polar Surface Area:
182.17HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
4.75Polar Surface Area:
195.58HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
Small moleculeAlogP:
4.04Polar Surface Area:
169.28HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.11DETAILS
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