Compounds

ALA3110021

Name:
(1R,2R,3R)-N-Hydroxy-2-(4-(oxazol-5-yl)phenyl)-3-phenylcyclopropanecarboxamShow More⌵

Mol. Formula:
C19H16N2O3

M.W.:
320.35

43 activity values

22 unique targets

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
75.36

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3109985

Name:
(1R,2R,3R)-2-(4-(2-Cyclopropyloxazol-5-yl)phenyl)-N-hydroxy-3-phenylcycloprShow More⌵

Mol. Formula:
C22H20N2O3

M.W.:
360.41

26 activity values

12 unique targets

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
75.36

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3109983

Name:
(1R,2R,3R)-N-Hydroxy-2-(1-oxo-2-(2,2,2-trifluoroethyl)-isoindolin-5-yl)-3-pShow More⌵

Mol. Formula:
C20H17F3N2O3

M.W.:
390.36

29 activity values

15 unique targets

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
69.64

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA1923806

Name:
(S)-(3-(ethyldisulfanyl)-4-(N-(2-oxo-2-(((2R,3S,4S,5R,6S)-3,4,5,6-tetrahydrShow More⌵

Mol. Formula:
C30H39NO11S2

M.W.:
653.77

25 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.32

Polar Surface Area:
172.29

HBA:
13

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA1923805

Name:
(S)-(3-(isopropyldisulfanyl)-4-(N-(2-oxo-2-(((2R,3S,4S,5R,6S)-3,4,5,6-tetraShow More⌵

Mol. Formula:
C31H41NO11S2

M.W.:
667.80

25 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.71

Polar Surface Area:
172.29

HBA:
13

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA1923804

Name:
(S)-(3-(benzyldisulfanyl)-4-(N-(2-oxo-2-(((2R,3S,4S,5R,6S)-3,4,5,6-tetrahydShow More⌵

Mol. Formula:
C35H41NO11S2

M.W.:
715.84

25 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
172.29

HBA:
13

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA1923802

Name:
(S)-((2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl)methyl 2Show More⌵

Mol. Formula:
C20H24O8

M.W.:
392.40

25 activity values

7 unique targets

Type:
Small molecule

AlogP:
0.29

Polar Surface Area:
125.68

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1830027

Name:
[125I]-(E)-1-(5-iodo-1H-indol-1-yl)-3-phenylprop-2-en-1-one

Mol. Formula:
C17H12INO

M.W.:
371.19

57 activity values

11 unique targets

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
22.00

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA523129

Name:
1-(4-(2,3-Dihydro-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl-oxy)phenyl)-Show More⌵

Mol. Formula:
C21H15ClF3N5O3

M.W.:
477.83

10 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.37

Polar Surface Area:
101.04

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS