Type:
Small moleculeAlogP:
0.71Polar Surface Area:
132.96HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
Small moleculeAlogP:
-1.62Polar Surface Area:
122.24HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
-0.56Polar Surface Area:
131.47HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS
Type:
Small moleculeAlogP:
6.53Polar Surface Area:
74.90HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS-
Type:
Small moleculeAlogP:
0.46Polar Surface Area:
170.99HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
Small moleculeAlogP:
6.99Polar Surface Area:
74.90HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA574857
Name:
2-(2-(6-ammoniohexanamido)propanamido)propanoateMol. Formula:
C12H23N3O4M.W.:
273.33Type:
Small moleculeAlogP:
-0.40Polar Surface Area:
121.52HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
7.11Polar Surface Area:
83.11HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
7.24Polar Surface Area:
74.90HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
0.69Polar Surface Area:
236.03HBA:
15HBD:
6#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
Small moleculeAlogP:
0.35Polar Surface Area:
177.94HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
1.41Polar Surface Area:
154.81HBA:
11HBD:
2#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA575527
Name:
6-ethyl-3-methoxy-7-oxo-1-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acidMol. Formula:
C11H15NO4M.W.:
225.24Type:
Small moleculeAlogP:
0.82Polar Surface Area:
66.84HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
-0.61Polar Surface Area:
166.81HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
0.66Polar Surface Area:
93.44HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
-1.79Polar Surface Area:
196.66HBA:
14HBD:
3#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.07DETAILS - 2-Carboxythiophene-5-boronic acid
Name:
5-boronothiophene-2-carboxylic acidMol. Formula:
C5H5BO4SM.W.:
171.97Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - 3-Carboxyphenylboronic acid pinacol ester
Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acidMol. Formula:
C13H17BO4M.W.:
248.09Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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