Compounds

Type:
Unknown

AlogP:
2.70

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2437432

Name:
1-(1-(1-((2-aminopyridin-4-yl)methyl)piperidine-4-carbonyl)piperidin-4-yl)-Show More⌵

Mol. Formula:
C28H31FN8O2

M.W.:
530.61

Type:
Small molecule

AlogP:
2.77

Polar Surface Area:
115.17

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2437428

Name:
1-(1-(1-((2-aminopyridin-4-yl)methyl)piperidine-4-carbonyl)piperidin-4-yl)-Show More⌵

Mol. Formula:
C31H41FN6O2

M.W.:
548.71

Type:
Small molecule

AlogP:
4.58

Polar Surface Area:
89.39

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2437424

Name:
1-(1-(1-((2-aminopyridin-4-yl)methyl)piperidine-4-carbonyl)piperidin-4-yl)-Show More⌵

Mol. Formula:
C28H37FN6O2

M.W.:
508.64

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
89.39

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2437419

Name:
1-(1-(1-((2-aminopyridin-4-yl)methyl)piperidine-4-carbonyl)piperidin-4-yl)-Show More⌵

Mol. Formula:
C38H41FN6O2

M.W.:
632.78

Type:
Small molecule

AlogP:
6.27

Polar Surface Area:
89.39

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA2437418

Name:
1-(1-(1-((2-aminopyridin-4-yl)methyl)piperidine-4-carbonyl)piperidin-4-yl)-Show More⌵

Mol. Formula:
C32H36Cl2N6O2

M.W.:
607.59

Type:
Small molecule

AlogP:
5.77

Polar Surface Area:
89.39

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2437417

Name:
1-(1-(1-((2-aminopyridin-4-yl)methyl)piperidine-4-carbonyl)piperidin-4-yl)-Show More⌵

Mol. Formula:
C28H35F3N6O2

M.W.:
544.62

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
89.39

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2437415

Name:
1-(1-(1-((2-aminopyridin-4-yl)methyl)piperidine-4-carbonyl)piperidin-4-yl)-Show More⌵

Mol. Formula:
C31H35FN6O2

M.W.:
542.66

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
89.39

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2437414

Name:
1-(1-(1-((2-aminopyridin-4-yl)methyl)piperidine-4-carbonyl)piperidin-4-yl)-Show More⌵

Mol. Formula:
C31H35ClN6O2

M.W.:
559.11

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
89.39

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2297888

Name:
N,N-dimethyl-2-(2-(4-propylpiperazin-1-yl)thiazol-4-yl)ethanamine trihydrobShow More⌵

Mol. Formula:
C14H29Br3N4S

M.W.:
525.19

Type:
Small molecule

AlogP:
1.78

Polar Surface Area:
22.61

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2297887

Name:
N-methyl-N-(2-(2-(4-propylpiperazin-1-yl)thiazol-4-yl)ethyl)propan-1-amine Show More⌵

Mol. Formula:
C16H33Br3N4S

M.W.:
553.25

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
22.61

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2297886

Name:
N-methyl-N-phenethyl-2-(2-(4-propylpiperazin-1-yl)thiazol-4-yl)ethanamine tShow More⌵

Mol. Formula:
C21H35Br3N4S

M.W.:
615.32

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
22.61

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2297885

Name:
N-benzyl-N-methyl-2-(2-(4-propylpiperazin-1-yl)thiazol-4-yl)ethanamine trihShow More⌵

Mol. Formula:
C20H33Br3N4S

M.W.:
601.29

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
22.61

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2297884

Name:
N-methyl-3-phenyl-N-(2-(2-(4-propylpiperazin-1-yl)thiazol-4-yl)ethyl)propanShow More⌵

Mol. Formula:
C22H37Br3N4S

M.W.:
629.35

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
22.61

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2297883

Name:
N-methyl-4-phenyl-N-(2-(2-(4-propylpiperazin-1-yl)thiazol-4-yl)ethyl)butan-Show More⌵

Mol. Formula:
C23H39Br3N4S

M.W.:
643.37

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
22.61

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2297882

Name:
N-methyl-5-phenyl-N-(2-(2-(4-propylpiperazin-1-yl)thiazol-4-yl)ethyl)pentanShow More⌵

Mol. Formula:
C24H41Br3N4S

M.W.:
657.40

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
22.61

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2297881

Name:
N-methyl-N-(2-(2-(4-propylpiperazin-1-yl)thiazol-4-yl)ethyl)benzamide dihydShow More⌵

Mol. Formula:
C20H30Br2N4OS

M.W.:
534.36

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
39.68

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2297880

Name:
N,4-dimethyl-N-(2-(2-(4-propylpiperazin-1-yl)thiazol-4-yl)ethyl)benzamide dShow More⌵

Mol. Formula:
C21H32Br2N4OS

M.W.:
548.39

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
39.68

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2297879

Name:
4-chloro-N-methyl-N-(2-(2-(4-propylpiperazin-1-yl)thiazol-4-yl)ethyl)benzamShow More⌵

Mol. Formula:
C20H29Br2ClN4OS

M.W.:
568.81

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
39.68

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2297878

Name:
N-methyl-4-nitro-N-(2-(2-(4-propylpiperazin-1-yl)thiazol-4-yl)ethyl)benzamiShow More⌵

Mol. Formula:
C20H29Br2N5O3S

M.W.:
579.36