ALA5276409Name:
(2Z)-7-bromo-2-[(3-bromo-4-hydroxy-phenyl)methylene]benzofuran-3-oneMol. Formula:
C15H8Br2O3M.W.:
396.03Type:
---AlogP:
4.53Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.72DETAILS
ALA5209438Name:
N-(5-bromothiazol-2-yl)-4-oxo-chromene-2-carboxamideMol. Formula:
C13H7BrN2O3SM.W.:
351.18Type:
---AlogP:
3.26Polar Surface Area:
72.20HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA5207743Name:
N-(5-formylthiazol-2-yl)-4-oxo-chromene-2-carboxamideMol. Formula:
C14H8N2O4SM.W.:
300.30Type:
---AlogP:
2.31Polar Surface Area:
89.27HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS
ALA5205782Name:
N-[4-(4-fluorophenyl)thiazol-2-yl]-4-oxo-chromene-2-carboxamideMol. Formula:
C19H11FN2O3SM.W.:
366.37Type:
---AlogP:
4.31Polar Surface Area:
72.20HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS
ALA5204040Name:
N-[4-(4-hydroxyphenyl)thiazol-2-yl]-4-oxo-chromene-2-carboxamideMol. Formula:
C19H12N2O4SM.W.:
364.38Type:
---AlogP:
3.87Polar Surface Area:
92.43HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS- ALA5203066
Name:
N-(5-fluoro-1,3-benzothiazol-2-yl)-4-oxo-chromene-2-carboxamideMol. Formula:
C17H9FN2O3SM.W.:
340.34Type:
---AlogP:
3.79Polar Surface Area:
72.20HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA5202870
Name:
N-(6-bromo-1,3-benzothiazol-2-yl)-4-oxo-chromene-2-carboxamideMol. Formula:
C17H9BrN2O3SM.W.:
401.24Type:
---AlogP:
4.42Polar Surface Area:
72.20HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA5202808
Name:
4-oxo-N-[4-[3-(trifluoromethyl)phenyl]thiazol-2-yl]chromene-2-carboxamideMol. Formula:
C20H11F3N2O3SM.W.:
416.38Type:
---AlogP:
5.19Polar Surface Area:
72.20HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA5202621
Name:
N-[4-(m-tolyl)thiazol-2-yl]-4-oxo-chromene-2-carboxamideMol. Formula:
C20H14N2O3SM.W.:
362.41Type:
---AlogP:
4.48Polar Surface Area:
72.20HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA5202483
Name:
N-(4-methylthiazol-2-yl)-4-oxo-chromene-2-carboxamideMol. Formula:
C14H10N2O3SM.W.:
286.31Type:
---AlogP:
2.81Polar Surface Area:
72.20HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA5201985
Name:
N-(4,5-dimethylthiazol-2-yl)-4-oxo-chromene-2-carboxamideMol. Formula:
C15H12N2O3SM.W.:
300.34Type:
---AlogP:
3.12Polar Surface Area:
72.20HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA5200158
Name:
4-oxo-N-[4-(p-tolyl)thiazol-2-yl]chromene-2-carboxamideMol. Formula:
C20H14N2O3SM.W.:
362.41Type:
---AlogP:
4.48Polar Surface Area:
72.20HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA5198697
Name:
N-(4-isobutylthiazol-2-yl)-4-oxo-chromene-2-carboxamideMol. Formula:
C17H16N2O3SM.W.:
328.39Type:
---AlogP:
3.70Polar Surface Area:
72.20HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
---AlogP:
2.03Polar Surface Area:
85.34HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA5196468
Name:
4-oxo-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]chromene-2-carboxamideMol. Formula:
C18H9F3N2O3SM.W.:
390.34Type:
---AlogP:
4.67Polar Surface Area:
72.20HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA5195786
Name:
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-oxo-chromene-2-carboxamideMol. Formula:
C17H9FN2O3SM.W.:
340.34Type:
---AlogP:
3.79Polar Surface Area:
72.20HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA5193749
Name:
4-oxo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]chromene-2-carboxamideMol. Formula:
C18H9F3N2O4SM.W.:
406.34Type:
---AlogP:
4.55Polar Surface Area:
81.43HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5190817
Name:
4-oxo-N-[4-[4-(trifluoromethoxy)phenyl]thiazol-2-yl]chromene-2-carboxamideMol. Formula:
C20H11F3N2O4SM.W.:
432.38Type:
---AlogP:
5.07Polar Surface Area:
81.43HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA5189908
Name:
N-(4-isopropylthiazol-2-yl)-4-oxo-chromene-2-carboxamideMol. Formula:
C16H14N2O3SM.W.:
314.37Type:
---AlogP:
3.63Polar Surface Area:
72.20HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS
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