ALA5281047Name:
2-(furan-2-yl)-4-phenyl-5,7-dihydro-6H-benzo[b]pyrido[2,3-d]azepin-6-oneMol. Formula:
C23H16N2O2M.W.:
352.39Type:
---AlogP:
5.17Polar Surface Area:
55.13HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA5273901Name:
4-(furan-2-yl)-2-phenyl-5,7-dihydro-6H-benzo[b]pyrido[2,3-d]azepin-6-oneMol. Formula:
C23H16N2O2M.W.:
352.39Type:
---AlogP:
5.17Polar Surface Area:
55.13HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.54DETAILS
Type:
UnknownAlogP:
3.66Polar Surface Area:
93.10HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
UnknownAlogP:
3.86Polar Surface Area:
102.33HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS
Type:
UnknownAlogP:
4.29Polar Surface Area:
93.10HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.51DETAILS-
Type:
UnknownAlogP:
3.96Polar Surface Area:
93.10HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
UnknownAlogP:
3.66Polar Surface Area:
93.10HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
UnknownAlogP:
2.49Polar Surface Area:
130.48HBA:
9HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
UnknownAlogP:
4.05Polar Surface Area:
93.10HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
UnknownAlogP:
3.49Polar Surface Area:
102.33HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4592720
Name:
2-(benzo[b]thiophen-3-yl)-6-methoxy-4-oxo-4H-chromen-3-yl pivalateMol. Formula:
C23H20O5SM.W.:
408.48Type:
UnknownAlogP:
5.63Polar Surface Area:
65.74HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA4592506
Name:
2-(benzo[b]thiophen-3-yl)-3-hydroxy-7-methoxy-4H-chromen-4-oneMol. Formula:
C18H12O4SM.W.:
324.36Type:
UnknownAlogP:
4.39Polar Surface Area:
59.67HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA4575467
Name:
2-(benzo[b]thiophen-3-yl)-6-chloro-3-hydroxy-4H-chromen-4-oneMol. Formula:
C17H9ClO3SM.W.:
328.78Type:
UnknownAlogP:
5.03Polar Surface Area:
50.44HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4567834
Name:
2-(benzo[b]thiophen-3-yl)-6-methoxy-3-propoxy-4H-chromen-4-oneMol. Formula:
C21H18O4SM.W.:
366.44Type:
UnknownAlogP:
5.47Polar Surface Area:
48.67HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA4567447
Name:
2-(benzo[b]thiophen-3-yl)-6-methoxy-4-oxo-4H-chromen-3-yl pentanoateMol. Formula:
C23H20O5SM.W.:
408.48Type:
UnknownAlogP:
5.78Polar Surface Area:
65.74HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA4563463
Name:
3-hydroxy-6-methoxy-2-(1-methyl-1H-indol-3-yl)-4H-chromen-4-oneMol. Formula:
C19H15NO4M.W.:
321.33Type:
UnknownAlogP:
3.67Polar Surface Area:
64.60HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
UnknownAlogP:
1.34Polar Surface Area:
196.15HBA:
10HBD:
4#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
UnknownAlogP:
0.31Polar Surface Area:
216.38HBA:
11HBD:
5#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA4541910
Name:
2-(benzo[b]thiophen-3-yl)-3-hydroxy-7-methyl-4H-chromen-4-oneMol. Formula:
C18H12O3SM.W.:
308.36Type:
UnknownAlogP:
4.69Polar Surface Area:
50.44HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA4539604
Name:
3-hydroxy-6-methyl-2-(4-methylthiophen-2-yl)-4H-chromen-4-oneMol. Formula:
C15H12O3SM.W.:
272.32Type:
UnknownAlogP:
3.84Polar Surface Area:
50.44HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.73DETAILS
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