ALA562978Name:
9-(Diethoxymethyl)-N2,N2-dimethyl-9H-pyrido[2,3-b]indole-2,4-diamineMol. Formula:
C18H24N4O2M.W.:
328.42Type:
Small moleculeAlogP:
3.37Polar Surface Area:
65.54HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
Small moleculeAlogP:
5.05Polar Surface Area:
56.31HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.46DETAILS
ALA551867Name:
N2,N2,9-Trimethyl-9H-pyrido[2,3-b]indole-2,4-diamineMol. Formula:
C14H16N4M.W.:
240.31Type:
Small moleculeAlogP:
2.37Polar Surface Area:
47.08HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.71DETAILS
Type:
Small moleculeAlogP:
2.36Polar Surface Area:
57.94HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.67DETAILS
ALA560723Name:
1-Benzyl-N6,N6-dimethyl-2,3-diphenyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamineMol. Formula:
C28H26N4M.W.:
418.54Type:
Small moleculeAlogP:
6.07Polar Surface Area:
47.08HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS- ALA508642
Name:
2-(benzimidazol-1-yl)-3-(4-nitrophenyl)-acrylonitrileMol. Formula:
C16H10N4O2M.W.:
290.28Type:
Small moleculeAlogP:
3.47Polar Surface Area:
84.75HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA452337
Name:
2-(Benzimidazol-2-yl)-3-(pyridin-4-yl)acrylonitrileMol. Formula:
C15H10N4M.W.:
246.27Type:
Small moleculeAlogP:
3.02Polar Surface Area:
65.36HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA452328
Name:
2-(Benzimidazol-2-yl)-3-(pyridin-3-yl)-acrylonitrileMol. Formula:
C15H10N4M.W.:
246.27Type:
Small moleculeAlogP:
3.02Polar Surface Area:
65.36HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA447255
Name:
2-(Benzimidazol-2-yl)-3-(pyridin-2-yl)acrylonitrileMol. Formula:
C15H10N4M.W.:
246.27Type:
Small moleculeAlogP:
3.02Polar Surface Area:
65.36HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA455419
Name:
2-(Benzimidazol-2-yl)-3-(5-bromothiophen-3-yl)-acrylonitrileMol. Formula:
C14H8BrN3SM.W.:
330.21Type:
Small moleculeAlogP:
4.45Polar Surface Area:
52.47HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA486867
Name:
2-(Benzoimidazol-2-yl)-3-(3-thiophen-3-yl)-acrylonitrileMol. Formula:
C14H9N3SM.W.:
251.31Type:
Small moleculeAlogP:
3.69Polar Surface Area:
52.47HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA519890
Name:
2-(Benzimidazol-2-yl)-3-(5-methoxythiopen-2-yl)acrylonitrileMol. Formula:
C15H11N3OSM.W.:
281.34Type:
Small moleculeAlogP:
3.70Polar Surface Area:
61.70HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA486866
Name:
2-(5,6-Dimethylbenzimidazol-2-yl)-3-(5-nitrothiophen-2-yl)acrylonitrileMol. Formula:
C16H12N4O2SM.W.:
324.37Type:
Small moleculeAlogP:
4.21Polar Surface Area:
95.61HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
1.81Polar Surface Area:
110.29HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA454418
Name:
2-(1H-benzimidazol-1-yl)-N-[(hydroxy-(5-nitrofuran-2-yl)methyl)]-acetamideMol. Formula:
C14H12N4O5M.W.:
316.27Type:
Small moleculeAlogP:
1.34Polar Surface Area:
123.43HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA451824
Name:
2-(Benzimidazol-1-yl)-3-(3-nitrophenyl)-acrylonitrileMol. Formula:
C16H10N4O2M.W.:
290.28Type:
Small moleculeAlogP:
3.47Polar Surface Area:
84.75HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILS
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