Type:
---AlogP:
2.69Polar Surface Area:
243.29HBA:
9HBD:
8#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.07DETAILS
Type:
---AlogP:
0.85Polar Surface Area:
257.28HBA:
9HBD:
8#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.07DETAILS
Type:
Small moleculeAlogP:
6.34Polar Surface Area:
7.12HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.29DETAILS
Type:
Small moleculeAlogP:
4.61Polar Surface Area:
75.69HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
Small moleculeAlogP:
4.93Polar Surface Area:
79.62HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS-
Type:
Small moleculeAlogP:
5.83Polar Surface Area:
67.59HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
6.17Polar Surface Area:
67.59HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
6.07Polar Surface Area:
79.62HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
6.49Polar Surface Area:
50.52HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
5.70Polar Surface Area:
50.52HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA571084
Name:
3-methyl-5-((5-methylfuran-2-yl)methylene)thiazolidine-2,4-dioneMol. Formula:
C10H9NO3SM.W.:
223.25Type:
Small moleculeAlogP:
2.25Polar Surface Area:
50.52HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
4.85Polar Surface Area:
76.82HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
3.76Polar Surface Area:
110.68HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
3.55Polar Surface Area:
114.12HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
3.90Polar Surface Area:
114.12HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
3.64Polar Surface Area:
76.82HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
2.48Polar Surface Area:
80.06HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
1.72Polar Surface Area:
89.29HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
4.85Polar Surface Area:
76.82HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
3.90Polar Surface Area:
114.12HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.54DETAILS
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