Type:
Small moleculeAlogP:
3.30Polar Surface Area:
54.02HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS
Type:
Small moleculeAlogP:
3.42Polar Surface Area:
54.02HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS
Type:
Small moleculeAlogP:
5.97Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS
Type:
Small moleculeAlogP:
5.05Polar Surface Area:
104.06HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
Small moleculeAlogP:
5.44Polar Surface Area:
104.06HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILS-
Type:
---AlogP:
-0.12Polar Surface Area:
236.81HBA:
14HBD:
8#RO5 Violations:
3#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.19DETAILS - ALA4093259
Name:
Orn-D-Trp-Cha-Ile-Ala(9-anth)-His(1-Bzl)-NH2Mol. Formula:
C61H75N11O6M.W.:
1058.34Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
4.65Polar Surface Area:
54.12HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
3.47Polar Surface Area:
154.46HBA:
5HBD:
7#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
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 - ALA4177515
Name:
8-Buthy-2-nitrothie[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 -
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 -
Type:
Small moleculeAlogP:
1.64Polar Surface Area:
107.24HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.40DETAILS
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