N-Heptanoyl-L-homoserine lactoneName:
N-heptanoyl-L-homoserine lactoneMol. Formula:
C11H19NO3M.W.:
213.28Type:
Small moleculeAlogP:
1.39Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA575294Name:
N-(4-bromophenylacetanoyl)-L-homoserine lactoneMol. Formula:
C12H12BrNO3M.W.:
298.14Type:
Small moleculeAlogP:
1.42Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.86DETAILS
ALA573745Name:
N-(2-cyclopentene-1-acetanoyl)-L-homoserine lactoneMol. Formula:
C11H15NO3M.W.:
209.25Type:
Small moleculeAlogP:
0.77Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.55DETAILS
Type:
Small moleculeAlogP:
1.92Polar Surface Area:
71.19HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.82DETAILS
ALA456928Name:
(S)-3-(4-methoxyphenyl)-N-(2-oxotetrahydrofuran-3-yl)propanamideMol. Formula:
C14H17NO4M.W.:
263.29Type:
Small moleculeAlogP:
1.06Polar Surface Area:
64.63HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.81DETAILS- ALA506438
Name:
(S)-N-(2-oxotetrahydrofuran-3-yl)-3-m-tolylpropanamideMol. Formula:
C14H17NO3M.W.:
247.29Type:
Small moleculeAlogP:
1.36Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA456719
Name:
(S)-N-(2-oxotetrahydrofuran-3-yl)-3-p-tolylpropanamideMol. Formula:
C14H17NO3M.W.:
247.29Type:
Small moleculeAlogP:
1.36Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA458672
Name:
(S)-2-(3-nitrophenoxy)-N-(2-oxotetrahydrofuran-3-yl)acetamideMol. Formula:
C12H12N2O6M.W.:
280.24Type:
Small moleculeAlogP:
0.41Polar Surface Area:
107.77HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA501141
Name:
(S)-2-(4-nitrophenoxy)-N-(2-oxotetrahydrofuran-3-yl)acetamideMol. Formula:
C12H12N2O6M.W.:
280.24Type:
Small moleculeAlogP:
0.41Polar Surface Area:
107.77HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA458671
Name:
(S)-N-(2-oxotetrahydrofuran-3-yl)-2-(4-(trifluoromethyl)phenoxy)acetamideMol. Formula:
C13H12F3NO4M.W.:
303.24Type:
Small moleculeAlogP:
1.52Polar Surface Area:
64.63HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA502443
Name:
(S)-2-(4-iodophenoxy)-N-(2-oxotetrahydrofuran-3-yl)acetamideMol. Formula:
C12H12INO4M.W.:
361.13Type:
Small moleculeAlogP:
1.10Polar Surface Area:
64.63HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA512914
Name:
(S)-2-(4-bromophenoxy)-N-(2-oxotetrahydrofuran-3-yl)acetamideMol. Formula:
C12H12BrNO4M.W.:
314.13Type:
Small moleculeAlogP:
1.26Polar Surface Area:
64.63HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA503754
Name:
(S)-2-(4-chlorophenoxy)-N-(2-oxotetrahydrofuran-3-yl)acetamideMol. Formula:
C12H12ClNO4M.W.:
269.68Type:
Small moleculeAlogP:
1.15Polar Surface Area:
64.63HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA498921
Name:
(S)-2-(4-fluorophenoxy)-N-(2-oxotetrahydrofuran-3-yl)acetamideMol. Formula:
C12H12FNO4M.W.:
253.23Type:
Small moleculeAlogP:
0.64Polar Surface Area:
64.63HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA508554
Name:
(S)-2-(4-methoxyphenoxy)-N-(2-oxotetrahydrofuran-3-yl)acetamideMol. Formula:
C13H15NO5M.W.:
265.26Type:
Small moleculeAlogP:
0.51Polar Surface Area:
73.86HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA456059
Name:
(S)-N-(2-oxotetrahydrofuran-3-yl)-2-(m-tolyloxy)acetamideMol. Formula:
C13H15NO4M.W.:
249.27Type:
Small moleculeAlogP:
0.81Polar Surface Area:
64.63HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA456058
Name:
(S)-N-(2-oxotetrahydrofuran-3-yl)-2-(p-tolyloxy)acetamideMol. Formula:
C13H15NO4M.W.:
249.27Type:
Small moleculeAlogP:
0.81Polar Surface Area:
64.63HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA508553
Name:
(S)-2-(naphthalen-1-yl)-N-(2-oxotetrahydrofuran-3-yl)acetamideMol. Formula:
C16H15NO3M.W.:
269.30Type:
Small moleculeAlogP:
1.81Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.86DETAILS - ALA502197
Name:
(S)-2-(naphthalen-2-yl)-N-(2-oxotetrahydrofuran-3-yl)acetamideMol. Formula:
C16H15NO3M.W.:
269.30Type:
Small moleculeAlogP:
1.81Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.86DETAILS - ALA509975
Name:
(S)-2-(3,4-dichlorophenyl)-N-(2-oxotetrahydrofuran-3-yl)acetamideMol. Formula:
C12H11Cl2NO3M.W.:
288.13Type:
Small moleculeAlogP:
1.97Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.87DETAILS
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