Compounds

ALA3913807

Name:
((2R,5R)-2-Benzyl-5-methoxypiperidin-1-yl)(4-(bis(4-fluorophenyl)(hydroxy)mShow More⌵

Mol. Formula:
C29H28F2N4O3

M.W.:
518.56

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
80.48

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3897587

Name:
((2R,5R)-2-Benzyl-5-(cyclopropylmethoxy)piperidin-1-yl)(4-(bis(4-fluorophenShow More⌵

Mol. Formula:
C32H32F2N4O3

M.W.:
558.63

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
80.48

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3263584

Name:
rac-4'-(1-(2-Phenethylpiperidine-1-carbonyl)-1H-1,2,3-triazol-4-yl)-[1,1'-bShow More⌵

Mol. Formula:
C29H28N4O3

M.W.:
480.57

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.77

Polar Surface Area:
88.32

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3263583

Name:
rac-4'-(1-(2-Phenylpiperidine-1-carbonyl)-1H-1,2,3-triazol-4-yl)-[1,1'-biphShow More⌵

Mol. Formula:
C27H24N4O3

M.W.:
452.51

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
88.32

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

KT203

Name:
rac-4'-(1-(2-Benzylpiperidine-1-carbonyl)-1H-1,2,3-triazol-4-yl)-[1,1'-biphShow More⌵

Mol. Formula:
C28H26N4O3

M.W.:
466.54

71 activity values

51 unique targets

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
88.32

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3263581

Name:
rac-4'-(1-(2-Phenylpiperidine-1-carbonyl)-1H-1,2,3-triazol-4-yl)-[1,1'-biphShow More⌵

Mol. Formula:
C27H25N5O2

M.W.:
451.53

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
94.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3263580

Name:
rac-(2-Phenylpiperidin-1-yl)(4-(4'-(piperidine-1-carbonyl)-[1,1'-biphenyl]-Show More⌵

Mol. Formula:
C32H33N5O2

M.W.:
519.65

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.43

Polar Surface Area:
71.33

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

KT185

Name:
rac-(2-Phenylpiperidin-1-yl)(4-(3'-(piperidine-1-carbonyl)-[1,1'-biphenyl]-Show More⌵

Mol. Formula:
C32H33N5O2

M.W.:
519.65

66 activity values

51 unique targets

Type:
Small molecule

AlogP:
6.43

Polar Surface Area:
71.33

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3263578

Name:
rac-(4-(4'-(Hydroxymethyl)-[1,1'-biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)(2-pShow More⌵

Mol. Formula:
C27H26N4O2

M.W.:
438.53

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
71.25

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

KT182

Name:
rac-(4-(3'-(Hydroxymethyl)-[1,1'-biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)(2-pShow More⌵

Mol. Formula:
C27H26N4O2

M.W.:
438.53

74 activity values

51 unique targets

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
71.25

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3263576

Name:
rac-(4-(2'-(Hydroxymethyl)-[1,1'-biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)(2-pShow More⌵

Mol. Formula:
C27H26N4O2

M.W.:
438.53

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
71.25

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3263572

Name:
rac-(4-(4'-Methoxy-[1,1'-biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)(2-(4-(3-(prShow More⌵

Mol. Formula:
C33H34N4O3

M.W.:
534.66

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.40

Polar Surface Area:
69.48

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS