Type:
Small moleculeAlogP:
4.25Polar Surface Area:
76.56HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS
ALA3622460Name:
N,N'-(butane-1,4-diyl)bis(5,6-dihydroxy-1H-indole-2-carboxamide)Mol. Formula:
C22H22N4O6M.W.:
438.44Type:
Small moleculeAlogP:
2.41Polar Surface Area:
170.70HBA:
6HBD:
8#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.16DETAILS
Type:
Small moleculeAlogP:
1.13Polar Surface Area:
58.89HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.63DETAILS
ALA3622458Name:
3-(2-(4-nitrophenyl)hydrazinyl)-3-oxo-N-phenylpropanamideMol. Formula:
C15H14N4O4M.W.:
314.30Type:
Small moleculeAlogP:
2.07Polar Surface Area:
113.37HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS
ALA3622457Name:
N,N'-(propane-1,3-diyl)bis(5,6-dihydroxy-1H-indole-2-carboxamide)Mol. Formula:
C21H20N4O4M.W.:
392.42Type:
Small moleculeAlogP:
2.61Polar Surface Area:
130.24HBA:
4HBD:
6#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.22DETAILS-
Type:
Small moleculeAlogP:
1.07Polar Surface Area:
82.73HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA3622455
Name:
3-(3-(4-chlorobenzylthio)-5-hydroxy-1,2,4-triazin-6-yl)propanoic acidMol. Formula:
C13H12ClN3O3SM.W.:
325.78Type:
Small moleculeAlogP:
2.54Polar Surface Area:
96.20HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA3622454
Name:
3-(3-Hydroxy-benzo[4,5]imidazo[1,2-b][1,2,4]triazin-2-yl)-propionic acidMol. Formula:
C12H10N4O3M.W.:
258.24Type:
Small moleculeAlogP:
1.00Polar Surface Area:
100.61HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
-0.27Polar Surface Area:
141.34HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
1.27Polar Surface Area:
133.75HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA3622451
Name:
3-(5-cyano-2,6-dihydroxypyrimidin-4-ylamino)-N-methylbenzamideMol. Formula:
C13H11N5O3M.W.:
285.26Type:
Small moleculeAlogP:
0.86Polar Surface Area:
131.16HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA3622450
Name:
2-(2-(benzylthio)-4-hydroxy-6-methylpyrimidin-5-yl)acetic acidMol. Formula:
C14H14N2O3SM.W.:
290.34Type:
Small moleculeAlogP:
2.41Polar Surface Area:
83.31HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS - 1,2,3,4,5,6-Cyclohexanehexacarboxylic Acid Monohydrate
Name:
cyclohexane-1,2,3,4,5,6-hexacarboxylic acidMol. Formula:
C12H12O12M.W.:
348.22Type:
Small moleculeAlogP:
-1.80Polar Surface Area:
223.80HBA:
6HBD:
6#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS
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