Type:
---AlogP:
5.06Polar Surface Area:
105.16HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.39DETAILS
Type:
---AlogP:
2.12Polar Surface Area:
107.55HBA:
9HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS
Type:
---AlogP:
8.34Polar Surface Area:
57.61HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.15DETAILS
Type:
---AlogP:
4.49Polar Surface Area:
50.80HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS
Type:
---AlogP:
4.14Polar Surface Area:
82.50HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS-
Type:
---AlogP:
3.79Polar Surface Area:
78.58HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA5187858
Name:
(4aR,7R,8R,8aS)-hexahydropyrano[2,3-e][1,2]oxaborinine-2,6,7,8(3H)-tetraolMol. Formula:
C7H13BO6M.W.:
203.99Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
4.69Polar Surface Area:
134.91HBA:
9HBD:
4#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
UnknownAlogP:
1.19Polar Surface Area:
131.78HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.19DETAILS - ALA5084036
Name:
6-hydroxy-7,8-dimethoxy-4,4,5-trimethylchroman-2-oneMol. Formula:
C14H18O5M.W.:
266.29Type:
UnknownAlogP:
2.30Polar Surface Area:
64.99HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
UnknownAlogP:
7.13Polar Surface Area:
44.70HBA:
3HBD:
1#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
UnknownAlogP:
7.78Polar Surface Area:
44.70HBA:
3HBD:
1#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
UnknownAlogP:
6.99Polar Surface Area:
44.70HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
UnknownAlogP:
-3.92Polar Surface Area:
328.35HBA:
20HBD:
12#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
UnknownAlogP:
-4.21Polar Surface Area:
348.58HBA:
21HBD:
13#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
UnknownAlogP:
3.97Polar Surface Area:
60.37HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
4.34Polar Surface Area:
156.00HBA:
12HBD:
1#RO5 Violations:
2#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
2.02Polar Surface Area:
149.57HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
4.09Polar Surface Area:
187.90HBA:
12HBD:
3#RO5 Violations:
2#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
4.12Polar Surface Area:
146.77HBA:
11HBD:
1#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.12DETAILS
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