Type:
Small moleculeAlogP:
1.98Polar Surface Area:
87.74HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.37DETAILS
Type:
Small moleculeAlogP:
3.32Polar Surface Area:
59.06HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.39DETAILS
Type:
Small moleculeAlogP:
3.32Polar Surface Area:
59.06HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.39DETAILS
ALA3334831Name:
(E)-13-(3-trifluoromethylphenyl)melampomagnolide-BMol. Formula:
C22H23F3O4M.W.:
408.42Type:
Small moleculeAlogP:
4.28Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.34DETAILS
Type:
Small moleculeAlogP:
4.02Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.34DETAILS-
Type:
Small moleculeAlogP:
2.84Polar Surface Area:
85.08HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
5.05Polar Surface Area:
38.83HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
3.87Polar Surface Area:
64.85HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
1.74Polar Surface Area:
63.33HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
2.41Polar Surface Area:
62.89HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
2.77Polar Surface Area:
92.43HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
2.63Polar Surface Area:
99.79HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
2.21Polar Surface Area:
76.88HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
3.74Polar Surface Area:
56.65HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
2.70Polar Surface Area:
68.68HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
3.81Polar Surface Area:
79.54HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
3.49Polar Surface Area:
79.54HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
3.20Polar Surface Area:
56.65HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
3.03Polar Surface Area:
56.65HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
2.72Polar Surface Area:
56.65HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS
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