Compounds

ALA5287703

Name:
6,6',6'',7,7',7''-hexahydroxy-2H,2'H,2''H-[5,5':8'
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Mol. Formula:
C27H14O12

M.W.:
530.40

Type:
---

AlogP:
3.57

Polar Surface Area:
212.01

HBA:
12

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5287516

Name:
S-(thiazol-2-yl) 5-(4-chlorophenyl)furan-2-carboth
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Mol. Formula:
C14H8ClNO2S2

M.W.:
321.81

Type:
---

AlogP:
4.99

Polar Surface Area:
43.10

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5286690

Name:
7-Chloro-2-(1H-indol-3-yl)-1,4-dihydro-2H-benzo[d]
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Mol. Formula:
C16H13ClN2O

M.W.:
284.75

Type:
---

AlogP:
4.46

Polar Surface Area:
37.05

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5284993

Name:
5-(2-fluorophenyl)-N-(thiazol-2-yl)furan-2-carboxa
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Mol. Formula:
C14H9FN2O2S

M.W.:
288.30

Type:
---

AlogP:
3.79

Polar Surface Area:
55.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5284892

Name:
S-(thiazol-2-yl) 5-(3-fluorophenyl)furan-2-carboth
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Mol. Formula:
C14H8FNO2S2

M.W.:
305.36

Type:
---

AlogP:
4.47

Polar Surface Area:
43.10

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5284581

Name:
S-(thiazol-2-yl) 5-(4-fluorophenyl)furan-2-carboth
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Mol. Formula:
C14H8FNO2S2

M.W.:
305.36

Type:
---

AlogP:
4.47

Polar Surface Area:
43.10

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5283982

Name:
2,3,8-trihydroxy-1,6-dimethoxy-9H-xanthen-9-one

Mol. Formula:
C15H12O7

M.W.:
304.25

Type:
---

AlogP:
2.08

Polar Surface Area:
109.36

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5283947

Name:
5-phenyl-N-(thiazol-2-yl)furan-2-carboxamide

Mol. Formula:
C14H10N2O2S

M.W.:
270.31

Type:
---

AlogP:
3.66

Polar Surface Area:
55.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5282294

Name:
2-(2-Methyl-1H-indol-3-yl)-1,4-dihydro-2H-benzo[d]
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Mol. Formula:
C17H16N2O

M.W.:
264.33

Type:
---

AlogP:
4.12

Polar Surface Area:
37.05

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5282116

Name:
(E)-2,6-di-tert-butyl-4-((2-(4-(4-chlorophenyl)thi
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Mol. Formula:
C24H28ClN3OS

M.W.:
442.03

Type:
---

AlogP:
7.21

Polar Surface Area:
57.51

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5282036

Name:
S-(thiazol-2-yl) 5-(2,6-difluorophenyl)furan-2-car
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Mol. Formula:
C14H7F2NO2S2

M.W.:
323.35

Type:
---

AlogP:
4.61

Polar Surface Area:
43.10

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5281479

Name:
5-(2,6-difluorophenyl)-N-(thiazol-2-yl)furan-2-car
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Mol. Formula:
C14H8F2N2O2S

M.W.:
306.29

Type:
---

AlogP:
3.93

Polar Surface Area:
55.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5281418

Name:
2-(1H-indol-3-yl)-1,4-dihydro-2H-benzo[d][1,3]oxaz
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Mol. Formula:
C16H14N2O

M.W.:
250.30

Type:
---

AlogP:
3.81

Polar Surface Area:
37.05

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5281284

Name:
S-(thiazol-2-yl) 5-(p-tolyl)furan-2-carbothioate

Mol. Formula:
C15H11NO2S2

M.W.:
301.39

Type:
---

AlogP:
4.64

Polar Surface Area:
43.10

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5281050

Name:
2-((5-(3-(1H-indol-3-yl)propyl)-1,3,4-oxadiazol-2-
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Mol. Formula:
C21H21N5O2S

M.W.:
407.50

Type:
---

AlogP:
4.16

Polar Surface Area:
96.70

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5280869

Name:
8-hydroxy-3,5-dimethoxy-1-((3,6,9,12,15,18,21,24,2
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Mol. Formula:
C52H68O6

M.W.:
789.11

Type:
---

AlogP:
14.71

Polar Surface Area:
78.13

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5280680

Name:
2-((5-(1H-Indol-3-yl)-3-phenyl-1H-pyrazol-1-yl)-4-
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Mol. Formula:
C26H17BrN4S

M.W.:
497.42

Type:
---

AlogP:
7.57

Polar Surface Area:
46.50

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5279483

Name:
5-(4-bromophenyl)-N-(thiazol-2-yl)furan-2-carboxam
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Mol. Formula:
C14H9BrN2O2S

M.W.:
349.21

Type:
---

AlogP:
4.42

Polar Surface Area:
55.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5279269

Name:
6,6',6'',6''',7,7',7'',7'''-octahydroxy-2H,2'H,2''
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Mol. Formula:
C36H18O16

M.W.:
706.52

Type:
---

AlogP:
4.76

Polar Surface Area:
282.68

HBA:
16

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5279024

Name:
5-(3-chlorophenyl)-N-(thiazol-2-yl)furan-2-carboxa
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Mol. Formula:
C14H9ClN2O2S

M.W.:
304.76

Type:
---

AlogP:
4.31

Polar Surface Area:
55.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS