Compounds

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4540733

Name:
3-(1-(4-chlorobenzyl)-1H-1,2,3-triazol-4-yl)propyl
Show More⌵

Mol. Formula:
C21H20ClN3O2

M.W.:
381.86

Type:
Unknown

AlogP:
4.17

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4538623

Name:
3-(1-(3,4-difluorobenzyl)-1H-1,2,3-triazol-4-yl)pr
Show More⌵

Mol. Formula:
C21H19F2N3O2

M.W.:
383.40

Type:
Unknown

AlogP:
3.79

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4535366

Name:
3-(1-(4-(trifluoromethyl)benzyl)-1H-1,2,3-triazol-
Show More⌵

Mol. Formula:
C22H20F3N3O2

M.W.:
415.42

Type:
Unknown

AlogP:
4.53

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4531372

Name:
3-(1-(4-(trifluoromethoxy)benzyl)-1H-1,2,3-triazol
Show More⌵

Mol. Formula:
C22H20F3N3O3

M.W.:
431.41

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
66.24

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4557755

Name:
(E)-3-oxo-1,3-dihydroisobenzofuran-5-yl-(4-nitro)c
Show More⌵

Mol. Formula:
C17H11NO6

M.W.:
325.28

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
95.74

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4529540

Name:
(E)-3-oxo-1,3-dihydroisobenzofuran-5-yl-(3,4,5-tri
Show More⌵

Mol. Formula:
C20H18O7

M.W.:
370.36

16 activity values

3 unique targets

Type:
Unknown

AlogP:
3.00

Polar Surface Area:
80.29

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4580071

Name:
3-(1-(2-bromobenzyl)-1H-1,2,3-triazol-4-yl)propyl
Show More⌵

Mol. Formula:
C21H20BrN3O2

M.W.:
426.31

Type:
Unknown

AlogP:
4.28

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4579481

Name:
3-(1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl)propy
Show More⌵

Mol. Formula:
C22H23N3O3

M.W.:
377.44

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
66.24

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4579213

Name:
3-(1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl)propyl
Show More⌵

Mol. Formula:
C21H20FN3O2

M.W.:
365.41

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4578745

Name:
(E)-3-oxo-1,3-dihydroisobenzofuran-5-yl-(4-bromo)c
Show More⌵

Mol. Formula:
C17H11BrO4

M.W.:
359.18

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4590410

Name:
(E)-3-oxo-1,3-dihydroisobenzofuran-5-yl-(4-fluoro)
Show More⌵

Mol. Formula:
C17H11FO4

M.W.:
298.27

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4589381

Name:
(1-(2,4,6-trichlorobenzyl)-1H-1,2,3-triazol-4-yl)m
Show More⌵

Mol. Formula:
C19H14Cl3N3O2

M.W.:
422.70

Type:
Unknown

AlogP:
5.04

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4589321

Name:
3-(1-(2-fluorobenzyl)-1H-1,2,3-triazol-4-yl)propyl
Show More⌵

Mol. Formula:
C21H20FN3O2

M.W.:
365.41

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4463061

Name:
(1-(3,4-difluorobenzyl)-1H-1,2,3-triazol-4-yl)meth
Show More⌵

Mol. Formula:
C19H15F2N3O2

M.W.:
355.34

12 activity values

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4462569

Name:
(1-(2-bromobenzyl)-1H-1,2,3-triazol-4-yl)methyl ci
Show More⌵

Mol. Formula:
C19H16BrN3O2

M.W.:
398.26

Type:
Unknown

AlogP:
3.85

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4464197

Name:
(1-benzyl-1H-1,2,3-triazol-4-yl)methyl cinnamate

Mol. Formula:
C19H17N3O2

M.W.:
319.36

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4099014

Name:
(E)-1-(2-(1-(4-nitrophenyl)ethylidene)hydrazyl)-4-
Show More⌵

Mol. Formula:
C16H12ClN5O2

M.W.:
341.76

1 unique targets

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
93.31

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4098089

Name:
(E)-1-(2-(1-(2,5-dichlorophenyl)ethylidene)hydrazy
Show More⌵

Mol. Formula:
C16H11Cl3N4

M.W.:
365.65

1 unique targets

Type:
Small molecule

AlogP:
5.43

Polar Surface Area:
50.17

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4097032

Name:
(E/Z)-1-(2-(4-bromobenzylidene)hydrazyl)-4-chlorop
Show More⌵

Mol. Formula:
C15H10BrClN4

M.W.:
361.63