Type:
Small moleculeAlogP:
1.65Polar Surface Area:
29.10HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.62DETAILS
Type:
ProteinAlogP:
-1.06Polar Surface Area:
304.02HBA:
10HBD:
10#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.05DETAILS
ALA2369945Name:
BQ-587 (cyclo(D-Trp-D-Asp-L-Hyp(N(_),N(_)-dimethyl-L-Lys)-D-Val-L-Leu)Mol. Formula:
C39H58N8O9M.W.:
782.94Type:
ProteinAlogP:
0.41Polar Surface Area:
245.36HBA:
10HBD:
7#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.10DETAILS
Type:
Small moleculeAlogP:
2.39Polar Surface Area:
202.34HBA:
10HBD:
5#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.16DETAILS
Type:
Small moleculeAlogP:
0.82Polar Surface Area:
210.54HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.24DETAILS-
Type:
Small moleculeAlogP:
0.97Polar Surface Area:
210.54HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
2.39Polar Surface Area:
202.34HBA:
10HBD:
5#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
-0.57Polar Surface Area:
229.10HBA:
12HBD:
7#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
0.87Polar Surface Area:
190.36HBA:
11HBD:
6#RO5 Violations:
3#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
0.87Polar Surface Area:
190.36HBA:
11HBD:
6#RO5 Violations:
3#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
0.85Polar Surface Area:
112.65HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
3.66Polar Surface Area:
187.25HBA:
7HBD:
6#RO5 Violations:
2#Rotatable Bonds:
23Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
Small moleculeAlogP:
0.37Polar Surface Area:
162.98HBA:
9HBD:
5#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.46DETAILS - Indomethacin Acyl-β-D-glucuronide
Name:
Indomethacin glucuronideMol. Formula:
C25H24ClNO10M.W.:
533.92Type:
Small moleculeAlogP:
1.28Polar Surface Area:
164.75HBA:
10HBD:
4#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
1.61Polar Surface Area:
125.68HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
1.99Polar Surface Area:
114.58HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
-2.79Polar Surface Area:
305.61HBA:
12HBD:
9#RO5 Violations:
3#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.04DETAILS -
Type:
Small moleculeAlogP:
-0.12Polar Surface Area:
184.68HBA:
10HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
0.97Polar Surface Area:
210.54HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.27DETAILS
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