Type:
---AlogP:
3.36Polar Surface Area:
113.14HBA:
11HBD:
2#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.28DETAILS
Type:
---AlogP:
3.36Polar Surface Area:
105.52HBA:
13HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.25DETAILS
Type:
---AlogP:
4.39Polar Surface Area:
121.54HBA:
12HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.19DETAILS
Type:
---AlogP:
2.18Polar Surface Area:
76.63HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.64DETAILS
Type:
---AlogP:
7.88Polar Surface Area:
120.46HBA:
13HBD:
1#RO5 Violations:
3#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.16DETAILS-
Type:
Small moleculeAlogP:
7.44Polar Surface Area:
74.62HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
0.99Polar Surface Area:
69.92HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA2281937
Name:
3,4,5-trihydroxyphenethyl alcoholCas Number:
134695-79-7Mol. Formula:
C8H10O4M.W.:
170.16Type:
Small moleculeAlogP:
0.34Polar Surface Area:
80.92HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
UnknownAlogP:
3.34Polar Surface Area:
139.07HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
UnknownAlogP:
6.41Polar Surface Area:
42.74HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
UnknownAlogP:
3.99Polar Surface Area:
81.00HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
UnknownAlogP:
0.87Polar Surface Area:
131.64HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
---AlogP:
4.25Polar Surface Area:
124.78HBA:
13HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
---AlogP:
2.56Polar Surface Area:
121.87HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
---AlogP:
3.36Polar Surface Area:
113.14HBA:
11HBD:
2#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
---AlogP:
3.35Polar Surface Area:
103.91HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
---AlogP:
3.36Polar Surface Area:
105.52HBA:
13HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
---AlogP:
3.35Polar Surface Area:
96.29HBA:
12HBD:
1#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
---AlogP:
-4.25Polar Surface Area:
343.58HBA:
13HBD:
12#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
---AlogP:
-4.25Polar Surface Area:
343.58HBA:
13HBD:
12#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.13DETAILS
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