Type:
Small moleculeAlogP:
1.79Polar Surface Area:
54.46HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.55DETAILS
ALA3422333Name:
2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)acetic acidMol. Formula:
C11H8N4O2SM.W.:
260.28Type:
Small moleculeAlogP:
1.68Polar Surface Area:
91.76HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
Small moleculeAlogP:
1.99Polar Surface Area:
110.00HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.61DETAILS
Type:
Small moleculeAlogP:
3.72Polar Surface Area:
110.00HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS
ALA3422330Name:
2-(3-(2-fluorophenylthio)-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acidMol. Formula:
C17H11FN4O2SM.W.:
354.37Type:
Small moleculeAlogP:
3.35Polar Surface Area:
80.90HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS- ALA3422329
Name:
2-(3-(isopropylthio)-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acidMol. Formula:
C14H14N4O2SM.W.:
302.36Type:
Small moleculeAlogP:
2.56Polar Surface Area:
80.90HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA3422326
Name:
2-(2,3-dihydrocyclopenta[b]indol-4(1H)-yl)acetic acidMol. Formula:
C13H13NO2M.W.:
215.25Type:
Small moleculeAlogP:
2.21Polar Surface Area:
42.23HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.83DETAILS - ALA3422321
Name:
2-(3-((diethylamino)methyl)-1H-indol-1-yl)acetic acidMol. Formula:
C15H20N2O2M.W.:
260.34Type:
Small moleculeAlogP:
2.57Polar Surface Area:
45.47HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.87DETAILS - 3-(1H-Indol-1-yl)propanoic acid
Name:
3-(1H-indol-1-yl)propanoic acidMol. Formula:
C11H11NO2M.W.:
189.21Type:
Small moleculeAlogP:
2.12Polar Surface Area:
42.23HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.80DETAILS
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