Type:
Small moleculeAlogP:
3.40Polar Surface Area:
51.22HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS
Type:
Small moleculeAlogP:
3.40Polar Surface Area:
51.22HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS
Type:
Small moleculeAlogP:
4.04Polar Surface Area:
41.99HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS
Type:
Small moleculeAlogP:
4.04Polar Surface Area:
41.99HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS
Type:
Small moleculeAlogP:
4.04Polar Surface Area:
41.99HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS-
Type:
Small moleculeAlogP:
3.30Polar Surface Area:
85.13HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
3.30Polar Surface Area:
85.13HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA1784754
Name:
(E)-1-(4-Methyl-2-(methylamino)thiazol-5-yl)-3-phenylprop-2-en-1-oneMol. Formula:
C14H14N2OSM.W.:
258.35Type:
Small moleculeAlogP:
3.39Polar Surface Area:
41.99HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA1076888
Name:
6-(4-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazolineMol. Formula:
C36H22N4M.W.:
510.60Type:
Small moleculeAlogP:
8.93Polar Surface Area:
34.60HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA1076887
Name:
6-(3-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazolineMol. Formula:
C36H22N4M.W.:
510.60Type:
Small moleculeAlogP:
8.93Polar Surface Area:
34.60HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA1076886
Name:
6-(2-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazolineMol. Formula:
C36H22N4M.W.:
510.60Type:
Small moleculeAlogP:
8.93Polar Surface Area:
34.60HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
10.72Polar Surface Area:
43.83HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.20DETAILS - ALA1076877
Name:
6-(3-indolo[1,2-c]quinazolin-6-yl-2-naphthyl)indolo[1,2-c]quinazolineMol. Formula:
C40H24N4M.W.:
560.66Type:
Small moleculeAlogP:
10.08Polar Surface Area:
34.60HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
6.52Polar Surface Area:
17.30HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA1087502
Name:
6-(5-Methyl-1H-3-indolyl)indolo[1,2-c]quinazolineMol. Formula:
C24H17N3M.W.:
347.42Type:
Small moleculeAlogP:
6.10Polar Surface Area:
33.09HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA1087376
Name:
6-(5-Methoxy-1H-3-indolyl)indolo[1,2-c]quinazolineMol. Formula:
C24H17N3OM.W.:
363.42Type:
Small moleculeAlogP:
5.80Polar Surface Area:
42.32HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
5.79Polar Surface Area:
33.09HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
6.37Polar Surface Area:
30.19HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.35DETAILS
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