Compounds

ALA5267946

Name:
1-(3-((dimethylamino)methyl)-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl)-2Show More⌵

Mol. Formula:
C24H29F3N2O4

M.W.:
466.50

Type:
---

AlogP:
3.43

Polar Surface Area:
62.24

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5281069

Name:
(3-((dimethylamino)methyl)-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl)(2,4Show More⌵

Mol. Formula:
C22H25F3N2O3

M.W.:
422.45

Type:
---

AlogP:
3.02

Polar Surface Area:
53.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5280036

Name:
1-(3-((dimethylamino)methyl)-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl)-2Show More⌵

Mol. Formula:
C23H27F3N2O3

M.W.:
436.47

Type:
---

AlogP:
2.95

Polar Surface Area:
53.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5278481

Name:
1-(3-((dimethylamino)methyl)-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl)-2Show More⌵

Mol. Formula:
C18H26N6O3

M.W.:
374.45

Type:
---

AlogP:
-0.02

Polar Surface Area:
96.61

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5276008

Name:
1-(3-((dimethylamino)methyl)-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl)-2Show More⌵

Mol. Formula:
C21H28N2O3S

M.W.:
388.53

Type:
---

AlogP:
2.60

Polar Surface Area:
53.01

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5275442

Name:
1-(3-((dimethylamino)methyl)-4-hydroxy-4-(3-hydroxyphenyl)piperidin-1-yl)-3Show More⌵

Mol. Formula:
C24H29F3N2O3

M.W.:
450.50

Type:
---

AlogP:
3.64

Polar Surface Area:
64.01

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5275138

Name:
1-(3-((dimethylamino)methyl)-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl)-2Show More⌵

Mol. Formula:
C23H30N2O3

M.W.:
382.50

Type:
---

AlogP:
2.54

Polar Surface Area:
53.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5289657

Name:
3-(2-(3-((dimethylamino)methyl)-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-ylShow More⌵

Mol. Formula:
C24H29N3O3

M.W.:
407.51

Type:
---

AlogP:
2.41

Polar Surface Area:
76.80

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5289226

Name:
2-(2-chlorophenyl)-1-(3-((dimethylamino)methyl)-4-hydroxy-4-(3-methoxyphenyShow More⌵

Mol. Formula:
C23H29ClN2O3

M.W.:
416.95

Type:
---

AlogP:
3.19

Polar Surface Area:
53.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5208638

Name:
(R)-2-((R)-2-((R)-2-amino-3-phenylpropanamido)-3-(2-fluorophenyl)propanamidShow More⌵

Mol. Formula:
C30H43FN8O4

M.W.:
598.72

5 activity values

3 unique targets

Type:
---

AlogP:
0.33

Polar Surface Area:
218.31

HBA:
6

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5203994

Name:
(3S,6R,9S,12R)-3,9-dibenzyl-6-(1H-indol-3-ylmethyl)-1,12-dimethyl-1,4,7,10-Show More⌵

Mol. Formula:
C33H35N5O4

M.W.:
565.67

6 activity values

6 unique targets

Type:
---

AlogP:
2.51

Polar Surface Area:
123.40

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5203634

Name:
(R)-2-((R)-2-((R)-2-amino-3-phenylpropanamido)-3-(4-hydroxyphenyl)propanamiShow More⌵

Mol. Formula:
C30H44N8O5

M.W.:
596.73

5 activity values

3 unique targets

Type:
---

AlogP:
-0.10

Polar Surface Area:
238.54

HBA:
7

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5199505

Name:
(R)-N-((R)-1-((R)-1-((R)-1-amino-5-guanidino-1-oxopentan-2-ylamino)-1-oxoheShow More⌵

Mol. Formula:
C31H44N8O4

M.W.:
592.75

5 activity values

3 unique targets

Type:
---

AlogP:
0.34

Polar Surface Area:
204.32

HBA:
6

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5199097

Name:
(R)-2-((R)-2-((R)-2-amino-3-(3-fluorophenyl)propanamido)-3-phenylpropanamidShow More⌵

Mol. Formula:
C30H43FN8O4

M.W.:
598.72

10 activity values

4 unique targets

Type:
---

AlogP:
0.33

Polar Surface Area:
218.31

HBA:
6

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5194818

Name:
(R)-2-((R)-2-((R)-2-amino-3-phenylpropanamido)-3-(3-fluorophenyl)propanamidShow More⌵

Mol. Formula:
C30H43FN8O4

M.W.:
598.72

9 activity values

4 unique targets

Type:
---

AlogP:
0.33

Polar Surface Area:
218.31

HBA:
6

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5194560

Name:
(R)-2-((R)-2-((R)-2-amino-3-phenylpropanamido)-3-(1H-indol-3-yl)propanamidoShow More⌵

Mol. Formula:
C32H45N9O4

M.W.:
619.77

5 activity values

3 unique targets

Type:
---

AlogP:
0.67

Polar Surface Area:
234.10

HBA:
6

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5192735

Name:
(R)-2-((R)-2-((R)-2-amino-3-phenylpropanamido)-3-(4-fluorophenyl)propanamidShow More⌵

Mol. Formula:
C30H43FN8O4

M.W.:
598.72

14 activity values

5 unique targets

Type:
---

AlogP:
0.33

Polar Surface Area:
218.31

HBA:
6

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5190857

Name:
(R)-2-((R)-2-((R)-2-amino-3-(4-fluorophenyl)propanamido)-3-phenylpropanamidShow More⌵

Mol. Formula:
C30H43FN8O4

M.W.:
598.72

5 activity values

3 unique targets

Type:
---

AlogP:
0.33

Polar Surface Area:
218.31

HBA:
6

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5188021

Name:
(R)-2-((R)-2-((R)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-phenylpropanamiShow More⌵

Mol. Formula:
C30H44N8O5

M.W.:
596.73

6 activity values

3 unique targets

Type:
---

AlogP:
-0.10

Polar Surface Area:
238.54

HBA:
7

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5183917

Name:
(R)-2-((R)-2-((R)-2-amino-3-phenylpropanamido)-3-phenylpropanamido)-N-((R)-Show More⌵

Mol. Formula:
C30H44N8O4

M.W.:
580.73

11 activity values

5 unique targets

Type:
---

AlogP:
0.19

Polar Surface Area:
218.31

HBA:
6

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.07

DETAILS