Type:
UnknownAlogP:
4.22Polar Surface Area:
105.09HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.34DETAILS
Type:
---AlogP:
6.44Polar Surface Area:
187.26HBA:
14HBD:
1#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.15DETAILS
Type:
---AlogP:
5.95Polar Surface Area:
170.19HBA:
13HBD:
1#RO5 Violations:
3#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.15DETAILS
Type:
UnknownAlogP:
6.31Polar Surface Area:
84.73HBA:
7HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.29DETAILS
Type:
---AlogP:
2.56Polar Surface Area:
162.98HBA:
10HBD:
5#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.24DETAILS-
Type:
---AlogP:
5.16Polar Surface Area:
182.72HBA:
14HBD:
1#RO5 Violations:
3#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
---AlogP:
4.27Polar Surface Area:
181.19HBA:
13HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
---AlogP:
5.87Polar Surface Area:
181.19HBA:
13HBD:
2#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
---AlogP:
6.90Polar Surface Area:
149.96HBA:
12HBD:
---#RO5 Violations:
3#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
---AlogP:
5.30Polar Surface Area:
181.19HBA:
13HBD:
2#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
---AlogP:
3.70Polar Surface Area:
175.12HBA:
12HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
2.45Polar Surface Area:
65.70HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
2.67Polar Surface Area:
68.90HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA4100829
Name:
1,7-dihydroxy-3,4-dimethoxy-9H-xanthen-9-oneCas Number:
76907-77-2Mol. Formula:
C15H12O6M.W.:
288.25Type:
Small moleculeAlogP:
2.37Polar Surface Area:
89.13HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA4099509
Name:
10-(3-N-morpholinopropyl)-2,4-dimethylacridoneMol. Formula:
C22H26N2O2M.W.:
350.46Type:
Small moleculeAlogP:
3.49Polar Surface Area:
34.47HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
UnknownAlogP:
5.37Polar Surface Area:
126.96HBA:
10HBD:
---#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
4.65Polar Surface Area:
25.24HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
3.30Polar Surface Area:
32.86HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
2.77Polar Surface Area:
48.71HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
2.37Polar Surface Area:
79.90HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS
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