Type:
UnknownAlogP:
2.73Polar Surface Area:
76.45HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS
Type:
Small moleculeAlogP:
5.11Polar Surface Area:
97.63HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.33DETAILS
Type:
Small moleculeAlogP:
3.68Polar Surface Area:
42.60HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.83DETAILS
ALA3220674Name:
4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-dimethylchroman-7-olMol. Formula:
C16H20N2O2M.W.:
272.35Type:
Small moleculeAlogP:
3.43Polar Surface Area:
58.14HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.84DETAILS
Type:
Small moleculeAlogP:
4.15Polar Surface Area:
29.46HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.83DETAILS-
Type:
Small moleculeAlogP:
3.48Polar Surface Area:
42.35HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
Small moleculeAlogP:
4.09Polar Surface Area:
29.46HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA3220414
Name:
3-(6-chloro-2,2-dimethyl-4-(4-nitrophenyl)chroman-8-yl)phenolMol. Formula:
C23H20ClNO4M.W.:
409.87Type:
Small moleculeAlogP:
6.31Polar Surface Area:
72.60HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA3220413
Name:
3-(2,2-dimethyl-4-(4-nitrophenyl)chroman-6-yl)phenolMol. Formula:
C23H21NO4M.W.:
375.42Type:
Small moleculeAlogP:
5.66Polar Surface Area:
72.60HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
3.58Polar Surface Area:
55.48HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA3220411
Name:
4-(4-(dimethylamino)phenyl)-2,2-dimethyl-2H-chromen-7-olMol. Formula:
C19H21NO2M.W.:
295.38Type:
Small moleculeAlogP:
4.06Polar Surface Area:
32.70HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA3220410
Name:
4-(3,5-dichlorophenyl)-2,2-dimethyl-2H-chromen-7-olMol. Formula:
C17H14Cl2O2M.W.:
321.20Type:
Small moleculeAlogP:
5.30Polar Surface Area:
29.46HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA3220409
Name:
1-(3-(7-hydroxy-2,2-dimethyl-2H-chromen-4-yl)phenyl)ethanoneMol. Formula:
C19H18O3M.W.:
294.35Type:
Small moleculeAlogP:
4.20Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
Small moleculeAlogP:
3.70Polar Surface Area:
49.69HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
3.58Polar Surface Area:
55.48HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA3220406
Name:
4-(3-(dimethylamino)phenyl)-2,2-dimethyl-2H-chromen-7-olMol. Formula:
C19H21NO2M.W.:
295.38Type:
Small moleculeAlogP:
4.06Polar Surface Area:
32.70HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA3220142
Name:
ethyl 3-(7-hydroxy-2-methyl-4-(3-nitrophenyl)-2H-chromen-2-yl)propanoateMol. Formula:
C21H21NO6M.W.:
383.40Type:
Small moleculeAlogP:
4.23Polar Surface Area:
98.90HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA3220141
Name:
4-(3-nitrophenyl)spiro[chromene-2,1'-cyclopentan]-7-olMol. Formula:
C19H17NO4M.W.:
323.35Type:
Small moleculeAlogP:
4.44Polar Surface Area:
72.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA3220140
Name:
7-methoxy-2,2-dimethyl-4-(3-nitrophenyl)-2H-chromen-8-olMol. Formula:
C18H17NO5M.W.:
327.34Type:
Small moleculeAlogP:
3.91Polar Surface Area:
81.83HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
3.90Polar Surface Area:
72.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS
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