Type:
UnknownAlogP:
5.01Polar Surface Area:
82.00HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS
Type:
UnknownAlogP:
5.70Polar Surface Area:
65.21HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS
Type:
UnknownAlogP:
4.39Polar Surface Area:
57.61HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS
Type:
UnknownAlogP:
6.29Polar Surface Area:
65.49HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS
Type:
UnknownAlogP:
6.34Polar Surface Area:
50.19HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS-
Type:
UnknownAlogP:
6.34Polar Surface Area:
30.18HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
UnknownAlogP:
6.24Polar Surface Area:
33.12HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA4579113
Name:
12-(2-Aminothiazol-4-yl)abieta-8,11,13-trien-18-olMol. Formula:
C23H32N2OSM.W.:
384.59Type:
UnknownAlogP:
5.52Polar Surface Area:
59.14HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA4577250
Name:
12-(Thiazol-4-yl)abieta-8,11,13-trien-18-amideMol. Formula:
C23H30N2OSM.W.:
382.57Type:
UnknownAlogP:
5.43Polar Surface Area:
55.98HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
UnknownAlogP:
5.48Polar Surface Area:
59.42HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
UnknownAlogP:
8.44Polar Surface Area:
39.19HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
UnknownAlogP:
5.74Polar Surface Area:
55.98HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
UnknownAlogP:
5.94Polar Surface Area:
33.12HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA4471587
Name:
12-(Thiazol-4-yl)abieta-8,11,13-trien-18-oic acidMol. Formula:
C23H29NO2SM.W.:
383.56Type:
UnknownAlogP:
6.03Polar Surface Area:
50.19HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
UnknownAlogP:
5.85Polar Surface Area:
30.18HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
UnknownAlogP:
8.44Polar Surface Area:
39.19HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
UnknownAlogP:
7.78Polar Surface Area:
39.19HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
UnknownAlogP:
6.12Polar Surface Area:
39.19HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
UnknownAlogP:
5.55Polar Surface Area:
30.18HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
2.59Polar Surface Area:
100.40HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS
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