Compounds

Carotegrast

Name:
Carotegrast

Mol. Formula:
C27H24Cl2N4O5

M.W.:
555.42

4 activity values

4 unique targets

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
113.64

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2408072

Name:
(S)-2-(2-(diethylamino)-5-(ethyl(2-fluorophenyl)amino)pyrimidin-4-ylamino)-Show More⌵

Mol. Formula:
C30H37FN6O4

M.W.:
564.66

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.32

Polar Surface Area:
111.13

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2407890

Name:
(S)-2-(2-(diethylamino)-5-(N-(pyrimidin-2-yl)methylsulfonamido)pyrimidin-4-Show More⌵

Mol. Formula:
C27H34N8O6S

M.W.:
598.69

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
171.05

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2407877

Name:
(S)-2-(2-(diethylamino)-5-(ethyl(pyridin-2-yl)amino)pyrimidin-4-ylamino)-3-Show More⌵

Mol. Formula:
C29H37N7O4

M.W.:
547.66

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.58

Polar Surface Area:
124.02

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2370065

Name:
cyclo(Leu-Asp-Thr-Asp-pro-Tic)

Mol. Formula:
C33H44N6O11

M.W.:
700.75

1 activity values

1 unique targets

Type:
Protein

AlogP:
-1.74

Polar Surface Area:
251.85

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA2333175

Name:
(S)-2-(2-chloro-6-isopropylbenzamido)-3-(4-(1,3,6-trimethyl-2,4-dioxo-1,2,3Show More⌵

Mol. Formula:
C26H28ClN3O5

M.W.:
497.98

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
110.40

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2333174

Name:
(S)-2-(2-chloro-6-ethylbenzamido)-3-(4-(1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tShow More⌵

Mol. Formula:
C25H26ClN3O5

M.W.:
483.95

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
110.40

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2333172

Name:
(S)-2-(1-(2-methoxyethyl)cyclopentanecarboxamido)-3-(4-(1,3,6-trimethyl-2,4Show More⌵

Mol. Formula:
C25H33N3O6

M.W.:
471.55

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.77

Polar Surface Area:
119.63

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2333171

Name:
(S)-2-(2-chloro-6-methylbenzamido)-3-(4-(1,3-dimethyl-2,4-dioxo-6-(trifluorShow More⌵

Mol. Formula:
C24H21ClF3N3O5

M.W.:
523.90

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
110.40

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2333169

Name:
(S)-2-(2,6-dichlorobenzamido)-3-(4-(1,3-dimethyl-2,4-dioxo-6-(trifluoromethShow More⌵

Mol. Formula:
C23H18Cl2F3N3O5

M.W.:
544.31

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
110.40

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2332752

Name:
(S)-2-(2,6-dichlorobenzamido)-3-(3-methyl-4-(1,3,6-trimethyl-2,4-dioxo-1,2,Show More⌵

Mol. Formula:
C24H23Cl2N3O5

M.W.:
504.37

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
110.40

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2332751

Name:
(S)-2-(2,6-dichlorobenzamido)-3-(4-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydShow More⌵

Mol. Formula:
C23H21Cl2N3O5

M.W.:
490.34

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
110.40

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2332750

Name:
(S)-2-(2-chloro-6-methylbenzamido)-3-(3-methyl-4-(1,3,6-trimethyl-2,4-dioxoShow More⌵

Mol. Formula:
C25H26ClN3O5

M.W.:
483.95

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
110.40

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2332749

Name:
(S)-3-(4-(1,3-diethyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)pShow More⌵

Mol. Formula:
C27H37N3O6

M.W.:
499.61

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
119.63

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2332748

Name:
(S)-2-(2-chloro-6-methylbenzamido)-3-(4-(1,3-diethyl-6-methyl-2,4-dioxo-1,2Show More⌵

Mol. Formula:
C26H28ClN3O5

M.W.:
497.98

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
110.40

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2332747

Name:
(S)-2-(2,6-dichlorobenzamido)-3-(4-(1,3-diethyl-6-methyl-2,4-dioxo-1,2,3,4-Show More⌵

Mol. Formula:
C25H25Cl2N3O5

M.W.:
518.40

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
110.40

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2332746

Name:
(S)-2-(2,6-diisopropylbenzamido)-3-(4-(1,3,6-trimethyl-2,4-dioxo-1,2,3,4-teShow More⌵

Mol. Formula:
C29H35N3O5

M.W.:
505.62

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
110.40

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2332745

Name:
(S)-3-(4-(1-(cyclopropylmethyl)-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihyShow More⌵

Mol. Formula:
C27H23Cl2F3N2O4

M.W.:
567.39

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.99

Polar Surface Area:
88.40

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2332744

Name:
(S)-2-(2,6-dichlorobenzamido)-3-(4-(1-ethyl-6-methyl-2-oxo-4-(trifluoromethShow More⌵

Mol. Formula:
C25H21Cl2F3N2O4

M.W.:
541.35

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.59

Polar Surface Area:
88.40

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2332743

Name:
(S)-2-(2,6-dichlorobenzamido)-3-(4-(6-methyl-2-oxo-4-(trifluoromethyl)-1,2-Show More⌵

Mol. Formula:
C23H17Cl2F3N2O4

M.W.:
513.30

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
99.26

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS