ALA5267791Name:
7-acetyl-8-hydroxybenzo[de]chromene-2-carbaldehydeMol. Formula:
C15H10O4M.W.:
254.24Type:
---AlogP:
2.68Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS
Type:
---AlogP:
2.22Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS
Type:
---AlogP:
2.22Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS
Type:
---AlogP:
2.22Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS
ALA5274400Name:
1-(7-acetyl-8-hydroxybenzo[de]chromen-2-yl)propan-2-oneMol. Formula:
C17H14O4M.W.:
282.30Type:
---AlogP:
3.46Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS-
Type:
---AlogP:
0.21Polar Surface Area:
256.90HBA:
14HBD:
6#RO5 Violations:
3#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
---AlogP:
2.22Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA5291324
Name:
1-(8-hydroxy-2-(hydroxymethyl)benzo[de]chromen-7-yl)ethan-1-oneMol. Formula:
C15H12O4M.W.:
256.26Type:
---AlogP:
2.47Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA5287769
Name:
1-(8-hydroxy-2-methylbenzo[de]chromen-7-yl)ethan-1-oneMol. Formula:
C15H12O3M.W.:
240.26Type:
---AlogP:
3.50Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
---AlogP:
7.78Polar Surface Area:
63.41HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.12DETAILS - ALA5219420
Name:
1-((9H-Carbazol-4-yl)oxy)-3-(bis(pyridin-2-ylmethyl)amino)-propan-2-olMol. Formula:
C27H26N4O2M.W.:
438.53Type:
---AlogP:
4.55Polar Surface Area:
74.27HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA5221011
Name:
9-(4,4,4-Trifluorobutyl)-4-(oxiran-2-ylmethoxy)-9H-carbazoleMol. Formula:
C19H18F3NO2M.W.:
349.35Type:
---AlogP:
4.91Polar Surface Area:
26.69HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
---AlogP:
5.44Polar Surface Area:
63.41HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
---AlogP:
6.37Polar Surface Area:
63.41HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
---AlogP:
7.00Polar Surface Area:
63.41HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
---AlogP:
6.22Polar Surface Area:
63.41HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
---AlogP:
4.56Polar Surface Area:
63.41HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
---AlogP:
4.69Polar Surface Area:
59.31HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
---AlogP:
3.30Polar Surface Area:
53.65HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA5209375
Name:
(R)-3-(3-fluoro-4-(isoxazol-4-yl)phenyl)-5-(hydroxymethyl)oxazolidin-2-oneMol. Formula:
C13H11FN2O4M.W.:
278.24Type:
---AlogP:
1.80Polar Surface Area:
75.80HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.93DETAILS
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