Type:
Small moleculeAlogP:
3.16Polar Surface Area:
132.32HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.23DETAILS
Type:
Small moleculeAlogP:
2.59Polar Surface Area:
123.09HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
Small moleculeAlogP:
0.64Polar Surface Area:
123.09HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA564732Name:
[4-Amino-2-(4-chlorophenylamino)-thiazol-5-yl]-phenylmethanoneMol. Formula:
C16H12ClN3OSM.W.:
329.81Type:
Small moleculeAlogP:
4.35Polar Surface Area:
68.01HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS- ALA553481
Name:
[4-Amino-2-(3-methoxyphenylamino)-thiazol-5-yl]-phenylmethanoneMol. Formula:
C17H15N3O2SM.W.:
325.39Type:
Small moleculeAlogP:
3.71Polar Surface Area:
77.24HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
4.15Polar Surface Area:
86.05HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
2.84Polar Surface Area:
86.05HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
4.28Polar Surface Area:
100.32HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
3.49Polar Surface Area:
100.32HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA270309
Name:
(3-amino-1-methyl-1H-indol-2-yl)(3,4,5-trimethoxyphenyl)methanoneMol. Formula:
C19H20N2O4M.W.:
340.38Type:
Small moleculeAlogP:
3.02Polar Surface Area:
75.71HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA406682
Name:
2-(3,4,5-trimethoxybenzoyl)-3-amino-6-methyl-1H-indoleMol. Formula:
C19H20N2O4M.W.:
340.38Type:
Small moleculeAlogP:
3.32Polar Surface Area:
86.57HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA388315
Name:
N-(4-(4-(4-aminobutylamino)butylamino)butyl)-9H-carbazole-9-carboxamideMol. Formula:
C25H37N5OM.W.:
423.61Type:
Small moleculeAlogP:
3.83Polar Surface Area:
84.11HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA390521
Name:
N-(4-(3-(4-aminobutylamino)propylamino)butyl)-9H-carbazole-9-carboxamideMol. Formula:
C24H35N5OM.W.:
409.58Type:
Small moleculeAlogP:
3.44Polar Surface Area:
84.11HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
0.83Polar Surface Area:
139.21HBA:
12HBD:
4#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
2.29Polar Surface Area:
105.01HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
0.17Polar Surface Area:
137.85HBA:
10HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS
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