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ALA5284951 Name:
5-(4-chlorobutyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7
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Mol. Formula:
C11H11ClN2O4
M.W.:
270.67
Type:
---
AlogP:
0.73
Polar Surface Area:
95.93
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5275861 Name:
5-(4-chlorobutyl)-2-thioxo-2,3-dihydro-1H-pyrano[2
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Mol. Formula:
C11H11ClN2O3S
M.W.:
286.74
Type:
---
AlogP:
2.10
Polar Surface Area:
78.86
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5270112 Name:
5-butyl-2-thioxo-2,3-dihydro-1H-pyrano[2,3-d]pyrim
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Mol. Formula:
C11H12N2O3S
M.W.:
252.29
Type:
---
AlogP:
1.88
Polar Surface Area:
78.86
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4785193 Name:
N-((5s,8s)-3-benzyl-2-imino-4-oxo-1,3-diazaspiro[4
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Mol. Formula:
C25H29ClN4O3
M.W.:
468.99
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
85.73
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4746807 Name:
(3S)-3-[3-[[2-(2-chlorophenyl)-4-methyl-thiazol-5-
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Mol. Formula:
C23H22ClNO3S
M.W.:
427.95
Type:
Unknown
AlogP:
6.32
Polar Surface Area:
59.42
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA3805952 Name:
3-[4-({5-[(3,4-Difluorophenyl)carbamoyl]-1,3,4-thi
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Mol. Formula:
C19H15F2N3O4S
M.W.:
419.41
Type:
Small molecule
AlogP:
3.66
Polar Surface Area:
101.41
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4177359 Name:
(2R,4R)-2-(2-Chlorophenyl)-3-(4'-cyanobiphenyl-4-c
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Mol. Formula:
C24H17ClN2O3S
M.W.:
448.93
Type:
Small molecule
AlogP:
5.22
Polar Surface Area:
81.40
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4177037 Name:
(R)-3-((4-(2-(6-(1H-Pyrazol-1-yl)pyridin-3-yl)phen
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Mol. Formula:
C28H29N5O3S
M.W.:
515.64
Type:
Small molecule
AlogP:
5.69
Polar Surface Area:
101.21
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
Type:
Small molecule
AlogP:
4.95
Polar Surface Area:
83.64
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4175455 Name:
(2R,4R)-3-([1,1'-Biphenyl]-3-carbonyl)-2-(2-chloro
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Mol. Formula:
C23H18ClNO3S
M.W.:
423.92
Type:
Small molecule
AlogP:
5.35
Polar Surface Area:
57.61
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4175443 Name:
(2R,4R)-2-(2-Chlorophenyl)-3-(4-(phenylethynyl)ben
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Mol. Formula:
C25H18ClNO3S
M.W.:
447.94
Type:
Small molecule
AlogP:
5.08
Polar Surface Area:
57.61
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4175033 Name:
(2R,4R)-3-(4-(3,5-Dimethylisoxazol-4-yl)benzoyl)-2
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Mol. Formula:
C22H20N2O4S
M.W.:
408.48
Type:
Small molecule
AlogP:
4.30
Polar Surface Area:
83.64
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4174384 Name:
(2R,4R)-2-(Furan-2-yl)-3-(2'-methoxybiphenyl-4-car
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Mol. Formula:
C22H19NO5S
M.W.:
409.46
Type:
Small molecule
AlogP:
4.30
Polar Surface Area:
79.98
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4173663 Name:
(R)-4-((4-(2-(6-(1H-Pyrazol-1-yl)pyridin-3-yl)phen
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Mol. Formula:
C30H31N5O3S
M.W.:
541.68
Type:
Small molecule
AlogP:
6.22
Polar Surface Area:
101.21
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4173130 Name:
(2R,4R)-2-(2-Chlorophenyl)-3-(4-((2-methoxyphenyl)
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Mol. Formula:
C26H20ClNO4S
M.W.:
477.97
Type:
Small molecule
AlogP:
5.09
Polar Surface Area:
66.84
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4172928 Name:
(R)-3-benzyl-4-(cyclopropyl(4-(2,5-dichlorophenyl)
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Mol. Formula:
C23H20Cl2N2O3S
M.W.:
475.40
Type:
Small molecule
AlogP:
5.95
Polar Surface Area:
70.50
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4171999 Name:
(2R,4R)-2-(2-Chlorophenyl)-3-(2'-methylbiphenyl-4-
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Mol. Formula:
C24H20ClNO3S
M.W.:
437.95
Type:
Small molecule
AlogP:
5.66
Polar Surface Area:
57.61
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4171813 Name:
(2R,4R)-3-(4-(3,5-Dimethylisoxazol-4-yl)benzoyl)-2
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Mol. Formula:
C23H22N2O5S
M.W.:
438.51
Type:
Small molecule
AlogP:
4.31
Polar Surface Area:
92.87
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4171685 Name:
(R)-2-benzyl-N1-(4-(2-chlorophenyl)thiazol-2-yl)-N
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Mol. Formula:
C21H20ClN3O2S
M.W.:
413.93
Type:
Small molecule
AlogP:
4.16
Polar Surface Area:
76.29
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4171128 Name:
(2S,5R)-5-(2-Chlorophenyl)-1-(2'-methoxybiphenyl-4
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Mol. Formula:
C25H22ClNO4
M.W.:
435.91
Type:
Small molecule
AlogP:
5.45
Polar Surface Area:
66.84
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
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