Type:
---AlogP:
6.10Polar Surface Area:
89.39HBA:
7HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.32DETAILS
Type:
---AlogP:
6.09Polar Surface Area:
100.25HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.30DETAILS
Type:
Small moleculeAlogP:
4.73Polar Surface Area:
105.42HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
Small moleculeAlogP:
4.73Polar Surface Area:
105.42HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
Small moleculeAlogP:
5.37Polar Surface Area:
96.19HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS-
Type:
Small moleculeAlogP:
4.42Polar Surface Area:
116.42HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
4.73Polar Surface Area:
105.42HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
5.48Polar Surface Area:
96.19HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
5.48Polar Surface Area:
96.19HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
5.37Polar Surface Area:
96.19HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
-0.23Polar Surface Area:
208.74HBA:
13HBD:
7#RO5 Violations:
3#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
-1.29Polar Surface Area:
119.61HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
-1.66Polar Surface Area:
267.66HBA:
17HBD:
9#RO5 Violations:
3#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
-1.36Polar Surface Area:
256.66HBA:
17HBD:
8#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA3609096
Name:
quercetagetin 3-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosideMol. Formula:
C28H30O17M.W.:
638.53Type:
Small moleculeAlogP:
-1.66Polar Surface Area:
267.66HBA:
17HBD:
9#RO5 Violations:
3#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
7.57Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA2088293
Name:
sodium 3,4-secoisopimar-4(18),7,15-trien-3-oic acidMol. Formula:
C20H29NaO2M.W.:
324.44Type:
Small moleculeAlogP:
5.37Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA2088249
Name:
7-Phenyl-6,11-dithia-5,9,9a-triaza-benzo[b]fluorene-8,10-dioneMol. Formula:
C18H11N3O2S2M.W.:
365.44Type:
Small moleculeAlogP:
3.53Polar Surface Area:
63.99HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA2088248
Name:
8-Phenyl-7H-6,11-dithia-5,9,9a-triaza-benzo[b]fluoren-10-oneMol. Formula:
C18H11N3OS2M.W.:
349.44Type:
Small moleculeAlogP:
3.97Polar Surface Area:
47.25HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
1.81Polar Surface Area:
118.36HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.63DETAILS
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