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ALA168773 Name:
2-(6-Bromo-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-
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Mol. Formula:
C11H11BrN2O2
M.W.:
283.13
Type:
Small molecule
AlogP:
1.59
Polar Surface Area:
42.85
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA354686 Name:
[(2,3-Dihydro-benzo[1,4]dioxine-2-carboximidoyl)-a
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Cas Number:
85084-38-4
Mol. Formula:
C11H12N2O4
M.W.:
236.23
Type:
Small molecule
AlogP:
0.27
Polar Surface Area:
94.14
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA170550 Name:
E2-(5-Methyl-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,
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Mol. Formula:
C12H14N2O2
M.W.:
218.26
Type:
Small molecule
AlogP:
1.14
Polar Surface Area:
42.85
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA353711 Name:
2-(6,7-Dimethyl-2,3-dihydro-benzo[1,4]dioxin-2-yl)
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Mol. Formula:
C13H16N2O2
M.W.:
232.28
Type:
Small molecule
AlogP:
1.44
Polar Surface Area:
42.85
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA169624 Name:
2-(6,7-Dimethoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl
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Mol. Formula:
C13H16N2O4
M.W.:
264.28
Type:
Small molecule
AlogP:
0.85
Polar Surface Area:
61.31
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA169852 Name:
2-(6-Fluoro-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5
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Mol. Formula:
C11H11FN2O2
M.W.:
222.22
Type:
Small molecule
AlogP:
0.97
Polar Surface Area:
42.85
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA354029 Name:
2-(6-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5
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Mol. Formula:
C11H11ClN2O2
M.W.:
238.67
Type:
Small molecule
AlogP:
1.48
Polar Surface Area:
42.85
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA445918 Name:
2-(6,7-Dibromo-2,3-dihydro-benzo[1,4]dioxin-2-yl)-
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Mol. Formula:
C11H10Br2N2O2
M.W.:
362.02
Type:
Small molecule
AlogP:
2.35
Polar Surface Area:
42.85
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA354397 Name:
N-(4,5-Dihydro-thiazol-2-yl)-2,3-dihydro-benzo[1,4
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Mol. Formula:
C12H13N3O2S
M.W.:
263.32
Type:
Small molecule
AlogP:
1.50
Polar Surface Area:
66.70
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA169062 Name:
6-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-[1,3,5]triaz
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Mol. Formula:
C11H11N5O2
M.W.:
245.24
Type:
Small molecule
AlogP:
0.55
Polar Surface Area:
109.17
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA353804 Name:
2-(4,5-Dihydro-1H-imidazol-2-yl)-2,3-dihydro-benzo
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Mol. Formula:
C11H12N2O3
M.W.:
220.23
Type:
Small molecule
AlogP:
0.53
Polar Surface Area:
63.08
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA166440 Name:
2-(6,7-Dichloro-2,3-dihydro-benzo[1,4]dioxin-2-yl)
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Mol. Formula:
C11H10Cl2N2O2
M.W.:
273.12
Type:
Small molecule
AlogP:
2.13
Polar Surface Area:
42.85
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA168351 Name:
N-Piperidin-1-yl-2,3-dihydro-benzo[1,4]dioxine-2-c
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Mol. Formula:
C14H19N3O2
M.W.:
261.32
Type:
Small molecule
AlogP:
1.79
Polar Surface Area:
57.58
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA168978 Name:
2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-benzooxazole
Mol. Formula:
C15H11NO3
M.W.:
253.26
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
44.49
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA300624 Name:
4-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2
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Mol. Formula:
C17H16FN5O
M.W.:
325.35
Type:
Small molecule
AlogP:
1.87
Polar Surface Area:
89.85
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA299548 Name:
2-Cyclopentylethynyl-8-(3-fluoro-phenyl)-9-methyl-
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Mol. Formula:
C19H18FN5
M.W.:
335.39
Type:
Small molecule
AlogP:
3.29
Polar Surface Area:
69.62
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA51192 Name:
1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2
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Mol. Formula:
C19H20FN5O
M.W.:
353.40
Type:
Small molecule
AlogP:
2.65
Polar Surface Area:
89.85
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA51394 Name:
1-(6-Amino-9-methyl-8-phenyl-9H-purin-2-ylethynyl)
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Mol. Formula:
C20H21N5O
M.W.:
347.42
Type:
Small molecule
AlogP:
2.66
Polar Surface Area:
89.85
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA51829 Name:
1-(6-Amino-9-methyl-8-pyridin-2-yl-9H-purin-2-ylet
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Mol. Formula:
C19H20N6O
M.W.:
348.41
Type:
Small molecule
AlogP:
2.05
Polar Surface Area:
102.74
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA52432 Name:
1-(6-Amino-9-methyl-9H-purin-2-ylethynyl)-cyclohex
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Mol. Formula:
C14H17N5O
M.W.:
271.32
Type:
Small molecule
AlogP:
0.99
Polar Surface Area:
89.85
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
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