Type:
Small moleculeAlogP:
2.79Polar Surface Area:
164.51HBA:
11HBD:
4#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.19DETAILS
Type:
Small moleculeAlogP:
2.23Polar Surface Area:
184.74HBA:
12HBD:
5#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.15DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
3.04Polar Surface Area:
81.72HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.64DETAILS
ALA253679Name:
(E)-1-(2,6-dimethoxyphenyl)-3-(4-(dimethylamino)phenyl)prop-2-en-1-oneMol. Formula:
C19H21NO3M.W.:
311.38Type:
Small moleculeAlogP:
3.67Polar Surface Area:
38.77HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS-
Type:
Small moleculeAlogP:
2.20Polar Surface Area:
47.56HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
1.88Polar Surface Area:
215.45HBA:
15HBD:
7#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA395070
Name:
1-(4-(2-(9H-carbazol-9-yl)ethoxy)phenyl)-1-(cyclopropylmethyl)thioureaMol. Formula:
C25H25N3OSM.W.:
415.56Type:
Small moleculeAlogP:
5.33Polar Surface Area:
43.42HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA232210
Name:
1-(4-(2-(9H-carbazol-9-yl)ethoxy)phenyl)-1-ethylthioureaMol. Formula:
C23H23N3OSM.W.:
389.52Type:
Small moleculeAlogP:
4.94Polar Surface Area:
43.42HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA232011
Name:
2-(3-(4-(2-(9H-carbazol-9-yl)ethoxy)phenyl)thioureido)acetic acidMol. Formula:
C23H21N3O3SM.W.:
419.51Type:
Small moleculeAlogP:
4.24Polar Surface Area:
75.52HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA397471
Name:
ethyl 2-(3-(4-(2-(9H-carbazol-9-yl)ethoxy)phenyl)thioureido)acetateMol. Formula:
C25H25N3O3SM.W.:
447.56Type:
Small moleculeAlogP:
4.72Polar Surface Area:
64.52HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA243042
Name:
1-(4-(2-(9H-carbazol-9-yl)ethoxy)phenyl)-3-ethylthioureaMol. Formula:
C23H23N3OSM.W.:
389.52Type:
Small moleculeAlogP:
5.18Polar Surface Area:
38.22HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA395002
Name:
1-(4-(2-(9H-carbazol-9-yl)ethoxy)phenyl)-3-methylthioureaMol. Formula:
C22H21N3OSM.W.:
375.50Type:
Small moleculeAlogP:
4.79Polar Surface Area:
38.22HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA243041
Name:
1-(4-(2-(9H-carbazol-9-yl)ethoxy)phenyl)thioureaMol. Formula:
C21H19N3OSM.W.:
361.47Type:
Small moleculeAlogP:
4.53Polar Surface Area:
52.21HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA430378
Name:
1-(4-(2-(9H-carbazol-9-yl)ethoxy)phenyl)-1-(cyclopropylmethyl)ureaMol. Formula:
C25H25N3O2M.W.:
399.49Type:
Small moleculeAlogP:
5.17Polar Surface Area:
60.49HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA390049
Name:
1-(4-(2-(9H-carbazol-9-yl)ethoxy)phenyl)-1-ethylureaMol. Formula:
C23H23N3O2M.W.:
373.46Type:
Small moleculeAlogP:
4.78Polar Surface Area:
60.49HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA243040
Name:
1-(4-(2-(9H-carbazol-9-yl)ethoxy)phenyl)-1-methylureaMol. Formula:
C22H21N3O2M.W.:
359.43Type:
Small moleculeAlogP:
4.39Polar Surface Area:
60.49HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA243039
Name:
2-(3-(4-(2-(9H-carbazol-9-yl)ethoxy)phenyl)ureido)acetic acidMol. Formula:
C23H21N3O4M.W.:
403.44Type:
Small moleculeAlogP:
4.08Polar Surface Area:
92.59HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA389573
Name:
ethyl 2-(3-(4-(2-(9H-carbazol-9-yl)ethoxy)phenyl)ureido)acetateMol. Formula:
C25H25N3O4M.W.:
431.49Type:
Small moleculeAlogP:
4.56Polar Surface Area:
81.59HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS
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