Compounds

ALA3730922

Name:
(5R*)-N5-(2-Trifluoromethyl-pyridin-5-yl)-(6R*)-N6-(4-pyrrolidin-1-yl-butylShow More⌵

Mol. Formula:
C25H32ClF3N4O2

M.W.:
513.00

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
74.33

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3730760

Name:
(5R)-N5-(4-Bromophenyl)-(6R)-N6-(trans-4-(aminomethyl)-cyclohexyl)-(4S,7R)-Show More⌵

Mol. Formula:
C24H30BrN3O2

M.W.:
472.43

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
84.22

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3729012

Name:
(5R)-N5-(4-Bromophenyl)-(6R)-N6-(cis-4-(aminomethyl)-cyclohexyl)-(4S,7R)-[4Show More⌵

Mol. Formula:
C24H30BrN3O2

M.W.:
472.43

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
84.22

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3730324

Name:
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-(azetidin-3-yl)-(4S,7R)-[4,7-ethyleneShow More⌵

Mol. Formula:
C17H21BrN4O2S

M.W.:
425.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.98

Polar Surface Area:
83.12

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3731259

Name:
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-[(piperidin-3-yl)-methyl]-(4S,7R)-[4,Show More⌵

Mol. Formula:
C20H27BrN4O2S

M.W.:
467.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
83.12

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3729130

Name:
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-[(piperidin-2-yl)-methyl]-(4S,7R)-[4,Show More⌵

Mol. Formula:
C20H27BrN4O2S

M.W.:
467.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
83.12

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3729189

Name:
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-[(pyrrolidin-2-yl)-methyl]-(4S,7R)-[4Show More⌵

Mol. Formula:
C19H25BrN4O2S

M.W.:
453.41

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
83.12

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3732729

Name:
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-(piperidin-3-yl)-(4S,7R)-[4,7-ethylenShow More⌵

Mol. Formula:
C19H25BrN4O2S

M.W.:
453.41

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
83.12

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3731053

Name:
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-(3-(N-methylamino)-propyl)-(4S,7R)-[4Show More⌵

Mol. Formula:
C18H25BrN4O2S

M.W.:
441.40

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.62

Polar Surface Area:
83.12

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3733217

Name:
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-(2-(N-methyl amino)-ethyl)-(4S,7R)-[4Show More⌵

Mol. Formula:
C17H23BrN4O2S

M.W.:
427.37

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.23

Polar Surface Area:
83.12

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3731273

Name:
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-(pyrrolidin-3-yl)-(4S,7R)-[4,7-ethyleShow More⌵

Mol. Formula:
C18H23BrN4O2S

M.W.:
439.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
83.12

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3730665

Name:
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-(cis-4-(hydroxymethyl)-cyclohexyl)-(4Show More⌵

Mol. Formula:
C21H28BrN3O3S

M.W.:
482.44

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
91.32

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3731851

Name:
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-(trans-4-(hydroxymethyl)-cyclohexyl)-Show More⌵

Mol. Formula:
C21H28BrN3O3S

M.W.:
482.44

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
91.32

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3732017

Name:
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-[(1-hydroxy-cyclohexyl)methyl]-(4S,7RShow More⌵

Mol. Formula:
C21H28BrN3O3S

M.W.:
482.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
91.32

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3728538

Name:
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-(4-hydroxy-cyclohexyl)-(4S,7R)-[4,7-eShow More⌵

Mol. Formula:
C20H26BrN3O3S

M.W.:
468.42

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
91.32

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3729977

Name:
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-(2-(2-hydroxyethoxy)ethyl)-(4S,7R)-[4Show More⌵

Mol. Formula:
C18H24BrN3O4S

M.W.:
458.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.02

Polar Surface Area:
100.55

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3727702

Name:
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-(2-methyl-3-hydroxyprop-2-yl)-(4S,7R)Show More⌵

Mol. Formula:
C18H24BrN3O3S

M.W.:
442.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
91.32

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3730490

Name:
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-(4-hydroxybutyl)-(4S,7R)-[4,7-ethylenShow More⌵

Mol. Formula:
C18H24BrN3O3S

M.W.:
442.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
91.32

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3730036

Name:
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-(3-hydroxypropyl)-(4S,7R)-[4,7-ethyleShow More⌵

Mol. Formula:
C17H22BrN3O3S

M.W.:
428.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
91.32

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3730683

Name:
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-(2-hydroxyethyl)-(4S,7R)-[4,7-ethylenShow More⌵

Mol. Formula:
C16H20BrN3O3S

M.W.:
414.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.00

Polar Surface Area:
91.32

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS