ALA4528720Name:
3,5,7-trihydroxy-3-(4-methoxybenzyl)chroman-4-oneMol. Formula:
C17H16O6M.W.:
316.31Type:
UnknownAlogP:
1.66Polar Surface Area:
96.22HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
UnknownAlogP:
2.50Polar Surface Area:
83.45HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.88DETAILS
Type:
UnknownAlogP:
1.88Polar Surface Area:
96.22HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.74DETAILS
Type:
UnknownAlogP:
2.54Polar Surface Area:
75.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS
Type:
UnknownAlogP:
2.19Polar Surface Area:
94.45HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS-
Type:
Small moleculeAlogP:
3.60Polar Surface Area:
102.43HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
5.79Polar Surface Area:
139.88HBA:
10HBD:
2#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
6.81Polar Surface Area:
139.88HBA:
10HBD:
2#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
5.23Polar Surface Area:
130.65HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
4.96Polar Surface Area:
135.69HBA:
10HBD:
1#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
4.77Polar Surface Area:
130.65HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
3.99Polar Surface Area:
130.65HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
5.60Polar Surface Area:
127.85HBA:
10HBD:
1#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
5.59Polar Surface Area:
127.85HBA:
10HBD:
1#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
5.00Polar Surface Area:
127.85HBA:
10HBD:
1#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
5.00Polar Surface Area:
127.85HBA:
10HBD:
1#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
5.76Polar Surface Area:
137.08HBA:
11HBD:
1#RO5 Violations:
3#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
6.78Polar Surface Area:
137.08HBA:
11HBD:
1#RO5 Violations:
3#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
4.00Polar Surface Area:
92.76HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
4.69Polar Surface Area:
89.52HBA:
8HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.29DETAILS
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