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ALA4648792 Name:
NA
Mol. Formula:
C22H24N2O4S2
M.W.:
444.58
Type:
Unknown
AlogP:
2.73
Polar Surface Area:
76.45
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
Type:
Small molecule
AlogP:
5.11
Polar Surface Area:
97.63
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA3220675 Name:
4-(furan-3-yl)-2,2-dimethylchroman-7-ol
Mol. Formula:
C15H16O3
M.W.:
244.29
Type:
Small molecule
AlogP:
3.68
Polar Surface Area:
42.60
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA3220674 Name:
4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-dimethylchrom
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Mol. Formula:
C16H20N2O2
M.W.:
272.35
Type:
Small molecule
AlogP:
3.43
Polar Surface Area:
58.14
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA3220417 Name:
2,2-dimethyl-4-(thiophen-2-yl)chroman-7-ol
Mol. Formula:
C15H16O2S
M.W.:
260.36
Type:
Small molecule
AlogP:
4.15
Polar Surface Area:
29.46
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA3220416 Name:
2,2-dimethyl-4-(pyridin-3-yl)chroman-7-ol
Mol. Formula:
C16H17NO2
M.W.:
255.32
Type:
Small molecule
AlogP:
3.48
Polar Surface Area:
42.35
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA3220415 Name:
2,2-dimethyl-4-phenylchroman-7-ol
Cas Number:
59257-81-7
Mol. Formula:
C17H18O2
M.W.:
254.33
Type:
Small molecule
AlogP:
4.09
Polar Surface Area:
29.46
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA3220414 Name:
3-(6-chloro-2,2-dimethyl-4-(4-nitrophenyl)chroman-
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Mol. Formula:
C23H20ClNO4
M.W.:
409.87
Type:
Small molecule
AlogP:
6.31
Polar Surface Area:
72.60
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA3220413 Name:
3-(2,2-dimethyl-4-(4-nitrophenyl)chroman-6-yl)phen
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Mol. Formula:
C23H21NO4
M.W.:
375.42
Type:
Small molecule
AlogP:
5.66
Polar Surface Area:
72.60
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3220412 Name:
4-(4-aminophenyl)-2,2-dimethyl-2H-chromen-7-ol
Mol. Formula:
C17H17NO2
M.W.:
267.33
Type:
Small molecule
AlogP:
3.58
Polar Surface Area:
55.48
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3220411 Name:
4-(4-(dimethylamino)phenyl)-2,2-dimethyl-2H-chrome
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Mol. Formula:
C19H21NO2
M.W.:
295.38
Type:
Small molecule
AlogP:
4.06
Polar Surface Area:
32.70
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA3220410 Name:
4-(3,5-dichlorophenyl)-2,2-dimethyl-2H-chromen-7-o
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Mol. Formula:
C17H14Cl2O2
M.W.:
321.20
Type:
Small molecule
AlogP:
5.30
Polar Surface Area:
29.46
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA3220409 Name:
1-(3-(7-hydroxy-2,2-dimethyl-2H-chromen-4-yl)pheny
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Mol. Formula:
C19H18O3
M.W.:
294.35
Type:
Small molecule
AlogP:
4.20
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA3220408 Name:
4-(3-hydroxyphenyl)-2,2-dimethyl-2H-chromen-7-ol
Mol. Formula:
C17H16O3
M.W.:
268.31
Type:
Small molecule
AlogP:
3.70
Polar Surface Area:
49.69
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA3220407 Name:
4-(3-aminophenyl)-2,2-dimethyl-2H-chromen-7-ol
Mol. Formula:
C17H17NO2
M.W.:
267.33
Type:
Small molecule
AlogP:
3.58
Polar Surface Area:
55.48
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3220406 Name:
4-(3-(dimethylamino)phenyl)-2,2-dimethyl-2H-chrome
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Mol. Formula:
C19H21NO2
M.W.:
295.38
Type:
Small molecule
AlogP:
4.06
Polar Surface Area:
32.70
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA3220142 Name:
ethyl 3-(7-hydroxy-2-methyl-4-(3-nitrophenyl)-2H-c
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Mol. Formula:
C21H21NO6
M.W.:
383.40
Type:
Small molecule
AlogP:
4.23
Polar Surface Area:
98.90
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA3220141 Name:
4-(3-nitrophenyl)spiro[chromene-2,1'-cyclopentan]-
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Mol. Formula:
C19H17NO4
M.W.:
323.35
Type:
Small molecule
AlogP:
4.44
Polar Surface Area:
72.60
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3220140 Name:
7-methoxy-2,2-dimethyl-4-(3-nitrophenyl)-2H-chrome
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Mol. Formula:
C18H17NO5
M.W.:
327.34
Type:
Small molecule
AlogP:
3.91
Polar Surface Area:
81.83
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA3220139 Name:
2,2-dimethyl-4-(2-nitrophenyl)-2H-chromen-7-ol
Mol. Formula:
C17H15NO4
M.W.:
297.31
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
72.60
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
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