Compounds

Type:
Unknown

AlogP:
8.48

Polar Surface Area:
79.76

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4582115

Name:
4-methyl-7-(2-(4-phenethyl-1H-1,2,3-triazol-1-yl)ethoxy)-2H-chromen-2-one

Mol. Formula:
C22H21N3O3

M.W.:
375.43

1 activity values

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
70.15

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4578759

Name:
9-((1-(3-fluorobenzyl)-1H-1,2,3-triazol-4-yl)methyl)-9H-carbazole

Mol. Formula:
C22H17FN4

M.W.:
356.40

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
35.64

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4573754

Name:
3-(thiophen-2-yl)-4-((2R,3R,4R,5S,6R)-2,4,5-tris(benzyloxy)-6-(benzyloxymetShow More⌵

Mol. Formula:
C40H39N3O5S2

M.W.:
705.90

Type:
Unknown

AlogP:
8.54

Polar Surface Area:
79.76

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4555431

Name:
3-(2-chlorophenyl)-4-((2R,3R,4R,5S,6R)-2,4,5-tris(benzyloxy)-6-(benzyloxymeShow More⌵

Mol. Formula:
C42H40ClN3O5S

M.W.:
734.32

Type:
Unknown

AlogP:
9.13

Polar Surface Area:
79.76

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4544630

Name:
N'-(3-bromobenzylidene)-4-(1-(2-(2-(3-bromobenzylidene)hydrazinyl)-2-oxoethShow More⌵

Mol. Formula:
C26H21Br2N7O3

M.W.:
639.31

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
122.74

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4544034

Name:
3-p-tolyl-4-((2R,3R,4R,5S,6R)-2,4,5-tris(benzyloxy)-6-(benzyloxymethyl)tetrShow More⌵

Mol. Formula:
C43H43N3O5S

M.W.:
713.90

Type:
Unknown

AlogP:
8.79

Polar Surface Area:
79.76

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4518992

Name:
N'-(4-bromo-2-hydroxybenzylidene)-4-(1-(2-(2-(4-bromo-2-hydroxybenzylidene)Show More⌵

Mol. Formula:
C26H21Br2N7O5

M.W.:
671.31

Type:
Unknown

AlogP:
3.19

Polar Surface Area:
163.20

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4518438

Name:
N'-benzylidene-4-(1-(2-(2-benzylidenehydrazinyl)-2-oxoethyl)-3-methyl-5-oxoShow More⌵

Mol. Formula:
C26H23N7O3

M.W.:
481.52

Type:
Unknown

AlogP:
2.26

Polar Surface Area:
122.74

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4516351

Name:
N'-(4-chlorobenzylidene)-4-(1-(2-(2-(4-chlorobenzylidene)hydrazinyl)-2-oxoeShow More⌵

Mol. Formula:
C26H21Cl2N7O3

M.W.:
550.41

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
122.74

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4514263

Name:
N'-(4-methoxybenzylidene)-4-(1-(2-(2-(4-methoxybenzylidene)hydrazinyl)-2-oxShow More⌵

Mol. Formula:
C28H27N7O5

M.W.:
541.57

Type:
Unknown

AlogP:
2.27

Polar Surface Area:
141.20

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4473371

Name:
5,5'-(pyridine-2,5-diyl)bis(4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol)

Mol. Formula:
C23H19N7O2S2

M.W.:
489.59

1 activity values

Type:
Unknown

AlogP:
4.17

Polar Surface Area:
92.77

HBA:
11

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4471876

Name:
7-(5-(4-((6-chloro-1,2,3,4-tetrahydroacridin-9-ylamino)methyl)-1H-1,2,3-triShow More⌵

Mol. Formula:
C31H32ClN5O3

M.W.:
558.08

Type:
Unknown

AlogP:
6.63

Polar Surface Area:
95.07

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4469361

Name:
2-(3,5-diphenyl-1H-1,2,4-triazole-1-carbonyl)-N-methylhydrazinecarboxamide

Mol. Formula:
C17H16N6O2

M.W.:
336.36

1 activity values

Type:
Unknown

AlogP:
2.01

Polar Surface Area:
100.94

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4464138

Name:
9-((1-(3-methylbenzyl)-1H-1,2,3-triazol-4-yl)methyl)-9H-carbazole

Mol. Formula:
C23H20N4

M.W.:
352.44

Type:
Unknown

AlogP:
4.79

Polar Surface Area:
35.64

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4461934

Name:
9-((1-(2-fluorobenzyl)-1H-1,2,3-triazol-4-yl)methyl)-9H-carbazole

Mol. Formula:
C22H17FN4

M.W.:
356.40

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
35.64

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4461348

Name:
5-methoxy-2-(4-(1-(quinolin-4-yl)-1H-1,2,3-triazol-4-yl)benzylidene)-2,3-diShow More⌵

Mol. Formula:
C28H20N4O2

M.W.:
444.49

3 activity values

Type:
Unknown

AlogP:
5.31

Polar Surface Area:
69.90

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4458943

Name:
3-(2-fluorophenyl)-4-((2R,3R,4R,5S,6R)-2,4,5-tris(benzyloxy)-6-(benzyloxymeShow More⌵

Mol. Formula:
C42H40FN3O5S

M.W.:
717.86

Type:
Unknown

AlogP:
8.62

Polar Surface Area:
79.76

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4456791

Name:
9-((1-(2-methylbenzyl)-1H-1,2,3-triazol-4-yl)methyl)-9H-carbazole

Mol. Formula:
C23H20N4

M.W.:
352.44