Type:
---AlogP:
-0.12Polar Surface Area:
236.81HBA:
14HBD:
8#RO5 Violations:
3#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.19DETAILS
Type:
UnknownAlogP:
4.65Polar Surface Area:
54.12HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.54DETAILS
Type:
UnknownAlogP:
2.00Polar Surface Area:
140.59HBA:
8HBD:
5#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
Small moleculeAlogP:
5.52Polar Surface Area:
67.77HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
Small moleculeAlogP:
3.17Polar Surface Area:
90.17HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.54DETAILS-
Type:
Small moleculeAlogP:
3.18Polar Surface Area:
116.47HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
2.44Polar Surface Area:
70.43HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
1.83Polar Surface Area:
90.17HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA4174097
Name:
3-Amino-8-methylthieno[2,3-g]quinoline-4,9-dioneMol. Formula:
C12H8N2O2SM.W.:
244.28Type:
Small moleculeAlogP:
1.81Polar Surface Area:
73.05HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4173932
Name:
2-Nitro-8epropylthieno[2,3-g]quinoline-4,9-dioneMol. Formula:
C14H10N2O4SM.W.:
302.31Type:
Small moleculeAlogP:
2.78Polar Surface Area:
90.17HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA4173752
Name:
7-Butyl-2-nitrothieno[2,3-g]quinoline-4,9-dioneMol. Formula:
C15H12N2O4SM.W.:
316.34Type:
Small moleculeAlogP:
3.17Polar Surface Area:
90.17HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA4172826
Name:
2-Nitro-4,9-dioxo-4,9-dihydrothieno[2,3-g]quinoline-8-carbaldehydeMol. Formula:
C12H4N2O5SM.W.:
288.24Type:
Small moleculeAlogP:
1.64Polar Surface Area:
107.24HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4172585
Name:
8-Methyl-3-nitrothieno[2,3-g]quinoline-4,9-dioneMol. Formula:
C12H6N2O4SM.W.:
274.26Type:
Small moleculeAlogP:
2.14Polar Surface Area:
90.17HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA4172381
Name:
8-(Dibromomethyl)-2-nitrothieno[2,3-g]quinoline-4,9-dioneMol. Formula:
C12H4Br2N2O4SM.W.:
432.05Type:
Small moleculeAlogP:
3.62Polar Surface Area:
90.17HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA4170302
Name:
7-(Tert-Butyl)-2-nitrothieno[2,3-g]quinoline-4,9-dioneMol. Formula:
C15H12N2O4SM.W.:
316.34Type:
Small moleculeAlogP:
3.12Polar Surface Area:
90.17HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
3.67Polar Surface Area:
56.03HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
3.34Polar Surface Area:
65.74HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA4166906
Name:
7-Methyl-2-nitrothieno[2,3-g]quinoline-4,9-dioneMol. Formula:
C12H6N2O4SM.W.:
274.26Type:
Small moleculeAlogP:
2.14Polar Surface Area:
90.17HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA4166175
Name:
Trans-8-methyl-2-nitro-4,9-dihydrothieno[2,3-g]quinoline-4,9-diolMol. Formula:
C12H10N2O4SM.W.:
278.29Type:
Small moleculeAlogP:
1.84Polar Surface Area:
96.49HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA4166002
Name:
8-ethyl-2-nitrothieno[2,3-g]quinoline-4,9-dioneMol. Formula:
C13H8N2O4SM.W.:
288.28Type:
Small moleculeAlogP:
2.39Polar Surface Area:
90.17HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS
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