Compounds

Type:
Unknown

AlogP:
1.32

Polar Surface Area:
117.00

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4879232

Name:
(3S)-3-(4-Aminobutyl)-1-[[4-fluoro-2-(6-methoxypyridin-3-yl)phenyl]methyl]-Show More⌵

Mol. Formula:
C22H29FN3O5P

M.W.:
465.46

3 activity values

Type:
Unknown

AlogP:
2.93

Polar Surface Area:
125.98

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4878986

Name:
rac-2-(3-Aminopropyl)-1-hydroxy-1-oxo-1-phosphinane-2-carboxylic acid triflShow More⌵

Mol. Formula:
C11H19F3NO6P

M.W.:
349.24

Type:
Unknown

AlogP:
1.00

Polar Surface Area:
100.62

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4878815

Name:
(3S)-3-(4-Aminobutyl)-1-[[2-(2,3-dimethylimidazol-4-yl)phenyl]methyl]-4-hydShow More⌵

Mol. Formula:
C21H31N4O4P

M.W.:
434.48

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
121.68

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4878365

Name:
rac-2-(4-Aminobutyl)-1-hydroxy-1-oxo-1-phosphinane-2-carboxylic acid trifluShow More⌵

Mol. Formula:
C12H21F3NO6P

M.W.:
363.27

Type:
Unknown

AlogP:
1.39

Polar Surface Area:
100.62

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4878203

Name:
rac-2-(6-Aminohexyl)-1-hydroxy-1-oxo-1-phosphinane-2-carboxylic acid trifluShow More⌵

Mol. Formula:
C14H25F3NO6P

M.W.:
391.32

Type:
Unknown

AlogP:
2.17

Polar Surface Area:
100.62

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4878039

Name:
(3S)-3-(4-Aminobutyl)-1-[4-fluoro-2-(1-methyl-1H-imidazole-5-yl)benzyl]-4-hShow More⌵

Mol. Formula:
C20H28FN4O4P

M.W.:
438.44

25 activity values

6 unique targets

Type:
Unknown

AlogP:
2.26

Polar Surface Area:
121.68

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4877745

Name:
rac-2-(5-Aminopentyl)-1-hydroxy-1-oxo-1-phosphepane-2-carboxylic acid triflShow More⌵

Mol. Formula:
C14H25F3NO6P

M.W.:
391.32

Type:
Unknown

AlogP:
2.17

Polar Surface Area:
100.62

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4877082

Name:
rac-3-(4-Aminobutyl)-4-hydroxy-4-oxo-1-pentyl-1,4-azaphosphinane-3-carboxylShow More⌵

Mol. Formula:
C16H30F3N2O6P

M.W.:
434.39

Type:
Unknown

AlogP:
1.71

Polar Surface Area:
103.86

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4875784

Name:
(3S)-3-(4-Aminobutyl)-1-[[2-(4-chlorophenyl)-4-fluorophenyl]methyl]-4-hydroShow More⌵

Mol. Formula:
C22H27ClFN2O4P

M.W.:
468.89

Type:
Unknown

AlogP:
4.18

Polar Surface Area:
103.86

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4875723

Name:
(3S)-3-(4-Aminobutyl)-4-hydroxy-1-[(4-hydroxy-2-phenylphenyl)methyl]-4-oxo-Show More⌵

Mol. Formula:
C22H29N2O5P

M.W.:
432.46

Type:
Unknown

AlogP:
3.10

Polar Surface Area:
124.09

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4874796

Name:
(3S)-3-(4-Aminobutyl)-4-hydroxy-4-oxo-1-[[2-(2-oxo-1H-pyridin-4-yl)phenyl]mShow More⌵

Mol. Formula:
C21H28N3O5P

M.W.:
433.45

Type:
Unknown

AlogP:
2.08

Polar Surface Area:
136.72

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4873531

Name:
rac-3-(4-Aminobutyl)-4-hydroxy-4-oxo-1-(pyridin-4-ylmethyl)-1,4-azaphosphinShow More⌵

Mol. Formula:
C17H25F3N3O6P

M.W.:
455.37

Type:
Unknown

AlogP:
1.12

Polar Surface Area:
116.75

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4872299

Name:
rac-3-(4-Aminobutyl)-4-hydroxy-4-oxo-1-(2-phenylethyl)-1,4-azaphosphinane-3Show More⌵

Mol. Formula:
C19H28F3N2O6P

M.W.:
468.41

Type:
Unknown

AlogP:
1.77

Polar Surface Area:
103.86

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4871500

Name:
rac-2-(5-Aminopentyl)-1-hydroxy-1-oxo-1-phospholane-2-carboxylic acid triflShow More⌵

Mol. Formula:
C12H21F3NO6P

M.W.:
363.27

Type:
Unknown

AlogP:
1.39

Polar Surface Area:
100.62

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4870502

Name:
3-(4-Aminobutyl)-4-hydroxy-4-oxo-1-[(3-phenylphenyl)methyl]-1,4-azaphosphinShow More⌵

Mol. Formula:
C22H29N2O4P

M.W.:
416.46

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
103.86

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4869435

Name:
rac-3-(5-Aminopentyl)-1-benzyl-4-hydroxy-4-oxo-1,4-azaphosphinane-3-carboxyShow More⌵

Mol. Formula:
C19H28F3N2O6P

M.W.:
468.41

Type:
Unknown

AlogP:
2.12

Polar Surface Area:
103.86

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4868605

Name:
(3S)-3-(4-aminobutyl)-1-[[4-fluoro-2-(p-tolyl)phenyl]methyl]-4-hydroxy-4-oxShow More⌵

Mol. Formula:
C23H30FN2O4P

M.W.:
448.48

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
103.86

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4868496

Name:
(3S)-3-(4-Aminobutyl)-1-[[2-fluoro-6-(4-methoxyphenyl)phenyl]methyl]-4-hydrShow More⌵

Mol. Formula:
C23H30FN2O5P

M.W.:
464.47

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
113.09

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4868478

Name:
(3S)-3-(4-Aminobutyl)-1-[2-(1,2-dimethyl-1H-imidazole-5-yl)-4-fluorobenzyl]Show More⌵

Mol. Formula:
C21H30FN4O4P

M.W.:
452.47

3 activity values