Type:
Small moleculeAlogP:
4.70Polar Surface Area:
73.20HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
Small moleculeAlogP:
2.27Polar Surface Area:
73.64HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS
Type:
Small moleculeAlogP:
4.99Polar Surface Area:
93.51HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.21DETAILS
Type:
Small moleculeAlogP:
3.33Polar Surface Area:
73.20HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS
Type:
Small moleculeAlogP:
5.52Polar Surface Area:
67.49HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.26DETAILS- ALA4102055
Name:
2-(N-(4-chlorobenzyloxy)-4-methoxybenzamido)acetic acidMol. Formula:
C17H16ClNO5M.W.:
349.77Type:
Small moleculeAlogP:
3.01Polar Surface Area:
76.07HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
2.35Polar Surface Area:
76.07HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
3.11Polar Surface Area:
85.92HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
0.84Polar Surface Area:
109.93HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
0.68Polar Surface Area:
136.23HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
0.68Polar Surface Area:
136.23HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
0.67Polar Surface Area:
127.00HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
0.67Polar Surface Area:
127.00HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
1.05Polar Surface Area:
90.65HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA3262468
Name:
(Z)-2-[4-(4-Oxo-2-thioxothiazolidin-5-ylidenemethyl)phenoxy]acetamideMol. Formula:
C12H10N2O3S2M.W.:
294.36Type:
Small moleculeAlogP:
1.04Polar Surface Area:
81.42HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3262466
Name:
(Z)-2-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-methoxyphenoxy]acetamideMol. Formula:
C13H12N2O5SM.W.:
308.32Type:
Small moleculeAlogP:
0.88Polar Surface Area:
107.72HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA3262465
Name:
(Z)-2-[5-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-methoxyphenoxy]acetamideMol. Formula:
C13H12N2O5SM.W.:
308.32Type:
Small moleculeAlogP:
0.88Polar Surface Area:
107.72HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA3262464
Name:
(Z)-2-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)phenoxy]acetamideMol. Formula:
C12H10N2O4SM.W.:
278.29Type:
Small moleculeAlogP:
0.87Polar Surface Area:
98.49HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA3262463
Name:
(Z)-2-[3-(2,4-Dioxothiazolidin-5ylidenemethyl)phenoxy]acetamideMol. Formula:
C12H10N2O4SM.W.:
278.29Type:
Small moleculeAlogP:
0.87Polar Surface Area:
98.49HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
-1.60Polar Surface Area:
370.39HBA:
20HBD:
10#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.09DETAILS
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