Type:
Small moleculeAlogP:
5.52Polar Surface Area:
122.52HBA:
8HBD:
3#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.20DETAILS
Type:
Small moleculeAlogP:
4.95Polar Surface Area:
116.45HBA:
7HBD:
4#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.27DETAILS
Type:
Small moleculeAlogP:
0.72Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.64DETAILS
ALA1765412Name:
Methyl 3,8-Dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylateMol. Formula:
C15H10O6M.W.:
286.24Type:
Small moleculeAlogP:
2.14Polar Surface Area:
96.97HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.53DETAILS
Type:
Small moleculeAlogP:
0.24Polar Surface Area:
113.29HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.68DETAILS-
Type:
Small moleculeAlogP:
1.53Polar Surface Area:
93.06HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
-0.54Polar Surface Area:
127.45HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
0.28Polar Surface Area:
107.22HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
7.23Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
5.12Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
5.12Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
6.15Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
5.37Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
6.39Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
5.24Polar Surface Area:
0.00HBA:
---HBD:
---#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
3.61Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
3.18Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA463612
Name:
[(-)-10alpha-bromo-9beta-hydroxy-alpha-chamigreneMol. Formula:
C15H23BrOM.W.:
299.25Type:
Small moleculeAlogP:
4.21Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
4.72Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
5.24Polar Surface Area:
0.00HBA:
---HBD:
---#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.42DETAILS
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