ALA5197425Name:
1-(4-(4-fluorobenzyl)piperazin-1-yl)-3-methoxypyrrolo[1,2-a]pyrazineMol. Formula:
C19H21FN4OM.W.:
340.40Type:
---AlogP:
2.80Polar Surface Area:
33.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS
ALA4450133Name:
(S)-3-(4-(3-(Benzyloxy)phenyl)-1H-1,2,3-triazol-1-yl)quinuclidinMol. Formula:
C22H24N4OM.W.:
360.46Type:
UnknownAlogP:
3.79Polar Surface Area:
43.18HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS
ALA4442125Name:
(S)-3-(4-(3-((4-Fluorobenzyl)oxy)phenyl)-1H-1,2,3-triazol-1-yl)quinuclidinMol. Formula:
C22H23FN4OM.W.:
378.45Type:
UnknownAlogP:
3.93Polar Surface Area:
43.18HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS
Type:
Small moleculeAlogP:
2.95Polar Surface Area:
45.33HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.86DETAILS
Type:
Small moleculeAlogP:
1.94Polar Surface Area:
57.86HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS-
Type:
Small moleculeAlogP:
2.14Polar Surface Area:
84.14HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
2.68Polar Surface Area:
71.25HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
1.75Polar Surface Area:
84.14HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
2.29Polar Surface Area:
71.25HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA356567
Name:
5-Methoxy-1H-indole-4-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amideMol. Formula:
C17H21N3O2M.W.:
299.37Type:
Small moleculeAlogP:
2.00Polar Surface Area:
57.36HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.91DETAILS - ALA358853
Name:
8-(2-Amino-ethyl)-5,6,7,8-tetrahydro-naphthalen-2-olMol. Formula:
C12H17NOM.W.:
191.27Type:
Small moleculeAlogP:
2.16Polar Surface Area:
46.25HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
1.44Polar Surface Area:
59.14HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.75DETAILS - ALA337592
Name:
3-(2-Amino-ethyl)-5-hydroxy-1H-indole-2-carbonitrileMol. Formula:
C11H11N3OM.W.:
201.23Type:
Small moleculeAlogP:
1.25Polar Surface Area:
85.83HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA337591
Name:
2-(8-Aza-bicyclo[3.2.1]oct-3-yl)-1-(6-hydroxy-1H-indol-3-yl)-ethanoneMol. Formula:
C17H20N2O2M.W.:
284.36Type:
Small moleculeAlogP:
2.98Polar Surface Area:
65.12HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA265110
Name:
Pyrrolo[1,2-a]indol-9-one O-(2-benzylamino-ethyl)-oximeMol. Formula:
C20H19N3OM.W.:
317.39Type:
Small moleculeAlogP:
3.35Polar Surface Area:
38.55HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA343384
Name:
3-Methyl-thieno[2,3-b]pyrrolizin-8-one O-(2-amino-ethyl)-oximeMol. Formula:
C12H13N3OSM.W.:
247.32Type:
Small moleculeAlogP:
1.89Polar Surface Area:
52.54HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA334923
Name:
3-Methyl-thieno[2,3-b]pyrrolizin-8-one O-(2-dimethylamino-ethyl)-oximeMol. Formula:
C14H17N3OSM.W.:
275.38Type:
Small moleculeAlogP:
2.49Polar Surface Area:
29.76HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA140105
Name:
Thieno[2,3-b]pyrrolizin-8-one O-(2-diethylamino-ethyl)-oximeMol. Formula:
C15H19N3OSM.W.:
289.40Type:
Small moleculeAlogP:
2.96Polar Surface Area:
29.76HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA344248
Name:
Thieno[2,3-b]pyrrolizin-8-one O-(2-dimethylamino-ethyl)-oximeMol. Formula:
C13H15N3OSM.W.:
261.35Type:
Small moleculeAlogP:
2.18Polar Surface Area:
29.76HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA342138
Name:
3-Methyl-thieno[2,3-b]pyrrolizin-8-one O-(2-piperidin-1-yl-ethyl)-oximeMol. Formula:
C17H21N3OSM.W.:
315.44Type:
Small moleculeAlogP:
3.42Polar Surface Area:
29.76HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS
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