Compounds

ALA5271502

Name:
7'''-((6,7-dihydroxy-2-oxo-2H-chromen-5-yl)oxy)-6,6',6'',6''',7,7',7''-heptShow More⌵

Mol. Formula:
C45H22O20

M.W.:
882.65

Type:
---

AlogP:
6.36

Polar Surface Area:
342.35

HBA:
20

HBD:
9

#RO5 Violations:
4

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5270813

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

Mol. Formula:
C16H12O6

M.W.:
300.27

Type:
---

AlogP:
2.71

Polar Surface Area:
100.13

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5270148

Name:
3-((3,6-dimethylhepta-2,5-dien-1-yl)oxy)-1-hydroxy-9H-xanthen-9-one

Mol. Formula:
C22H22O4

M.W.:
350.41

Type:
---

AlogP:
5.33

Polar Surface Area:
59.67

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5269485

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

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

ALA5268802

Name:
6-Methyl-2-(2-methyl-1H-indol-3-yl)-1,4-dihydro-2H-benzo[d][1,3]oxazine

Mol. Formula:
C18H18N2O

M.W.:
278.36

Type:
---

AlogP:
4.43

Polar Surface Area:
37.05

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5268558

Name:
6,6',7,7'-tetrahydroxy-2H,2'H-[8,8'-bichromene]-2,2'-dione

Mol. Formula:
C18H10O8

M.W.:
354.27

Type:
---

AlogP:
2.39

Polar Surface Area:
141.34

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5282294

Name:
2-(2-Methyl-1H-indol-3-yl)-1,4-dihydro-2H-benzo[d][1,3]oxazine

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)thiazol-2-yl)hydrazono)methyShow More⌵

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-carbothioate

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-carboxamide

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]oxazine

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-yl)thio)-N-(4-methylpyridShow More⌵

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-((3,6,9,12,15,18,21,24,27-nonamethyloctacosa-2,5,Show More⌵

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-(4-bromo)phenyl)thiazole

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-carboxamide

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''H,2'''H-[5,5':8',5'':8'',Show More⌵

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-carboxamide

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

ALA5278551

Name:
8-hydroxy-3,5-dimethoxy-1-((3-methylbut-2-en-1-yl)oxy)-9H-xanthen-9-one

Mol. Formula:
C20H20O6

M.W.:
356.37

Type:
---

AlogP:
4.01

Polar Surface Area:
78.13

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5278121

Name:
6,6',6'',7,7',7''-hexahydroxy-2H,2'H,2''H-[5,5':8',5''-terchromene]-2,2',2'Show More⌵

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