Compounds

ALA2425584

Name:
(R)-5-chloro-N-(1-(4-chlorophenylamino)-1-oxo-3-phenylpropan-2-yl)-2-hydroxShow More⌵

Mol. Formula:
C22H18Cl2N2O3

M.W.:
429.30

31 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
78.43

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2425562

Name:
(S)-N-(1-(4-bromophenylamino)-3-cyclohexyl-1-oxopropan-2-yl)-5-chloro-2-hydShow More⌵

Mol. Formula:
C22H24BrClN2O3

M.W.:
479.80

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.52

Polar Surface Area:
78.43

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2425561

Name:
(S)-5-chloro-N-(3-cyclohexyl-1-oxo-1-(3-(trifluoromethyl)phenylamino)propanShow More⌵

Mol. Formula:
C23H24ClF3N2O3

M.W.:
468.90

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.77

Polar Surface Area:
78.43

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2425560

Name:
(S)-5-chloro-2-hydroxy-N-(3-methyl-1-oxo-1-(4-(trifluoromethyl)phenylamino)Show More⌵

Mol. Formula:
C19H18ClF3N2O3

M.W.:
414.81

26 activity values

15 unique targets

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
78.43

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2425559

Name:
(S)-5-chloro-N-(3,3-dimethyl-1-oxo-1-(3-(trifluoromethyl)phenylamino)butan-Show More⌵

Mol. Formula:
C20H20ClF3N2O3

M.W.:
428.84

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
78.43

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2403097

Name:
N2-(4-Aminocyclohexyl)-9-cyclopentyl-N6-(6-thiophen-3-yl-pyridin-3-ylmethylShow More⌵

Mol. Formula:
C26H32N8S

M.W.:
488.67

16 activity values

8 unique targets

Type:
Small molecule

AlogP:
5.36

Polar Surface Area:
106.57

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2402949

Name:
(R)-2-(9-cyclopentyl-6-(4-(pyridin-2-yl)benzylamino)-9H-purin-2-ylamino)butShow More⌵

Mol. Formula:
C26H31N7O

M.W.:
457.58

10 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
100.78

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2282821

Name:
4-chloro-6-(chloromethyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine

Mol. Formula:
C12H8Cl2N4

M.W.:
279.13

7 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
43.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA489467

Name:
N6-(4-trifluoromethoxybenzyl)-adenosine

Mol. Formula:
C18H18F3N5O5

M.W.:
441.37

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.95

Polar Surface Area:
134.78

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA446914

Name:
FeCl3.6H2O

Mol. Formula:
H12Cl3FeO6

M.W.:
270.29

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS