Compounds

Type:
Unknown

AlogP:
1.21

Polar Surface Area:
134.01

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4592863

Name:
2-(2,4-difluorophenyl)-1-(4-m-tolyl-1H-1,2,3-triazol-1-yl)-3-(1H-1,2,4-triaShow More⌵

Mol. Formula:
C20H18F2N6O

M.W.:
396.40

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
81.65

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4570954

Name:
1-(2-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one

Mol. Formula:
C15H12FNO

M.W.:
241.26

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
43.09

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4543280

Name:
1-(2-aminophenyl)-3-(4-nitrophenyl)prop-2-en-1-one

Mol. Formula:
C15H12N2O3

M.W.:
268.27

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
86.23

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4533837

Name:
1-(((1-(2,4-dichlorobenzyl)-1H-1,2,3-triazol-4-yl)methyl)(ethyl)amino)-2-(2Show More⌵

Mol. Formula:
C23H23Cl2F2N7O

M.W.:
522.39

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
84.89

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3814424

Name:
(E)-N-(Benzofuran-7-ylmethyl)-N-methyl-3-(4-(trifluoromethyl)-phenyl)prop-2Show More⌵

Mol. Formula:
C20H19ClF3NO

M.W.:
381.83

67 activity values

14 unique targets

Type:
Small molecule

AlogP:
5.60

Polar Surface Area:
16.38

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3407691

Name:
N-(4-Chlorobenzyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide

Mol. Formula:
C17H23ClN2O3

M.W.:
338.84

9 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3407673

Name:
2-(4-Ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(1-methyl-1H-indol-5-yl)acetShow More⌵

Mol. Formula:
C19H25N3O3

M.W.:
343.43

9 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
63.57

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA3407652

Name:
2-(4-Ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-isopropylphenyl)acetamide

Mol. Formula:
C19H28N2O3

M.W.:
332.44

26 activity values

20 unique targets

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2426542

Name:
(S)-1-(4-tert-Butylphenyl)-2-fluoro-N-methyl-N-(naphthalen-1-ylmethyl)ethanShow More⌵

Mol. Formula:
C24H28FN

M.W.:
349.49

Type:
Small molecule

AlogP:
6.28

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2426541

Name:
(R)-1-(4-tert-butylphenyl)-2-fluoro-N-methyl-N-(naphthalen-1-ylmethyl)ethanShow More⌵

Mol. Formula:
C24H28FN

M.W.:
349.49

Type:
Small molecule

AlogP:
6.28

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2426540

Name:
(S)-1-(4-tert-Butylphenyl)-2-fluoro-N-(naphthalen-1-ylmethyl)ethanamine

Mol. Formula:
C23H26FN

M.W.:
335.47

Type:
Small molecule

AlogP:
5.94

Polar Surface Area:
12.03

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2426539

Name:
(R)-1-(4-tert-Butylphenyl)-2-fluoro-N-(naphthalen-1-ylmethyl)ethanamine

Mol. Formula:
C23H26FN

M.W.:
335.47

Type:
Small molecule

AlogP:
5.94

Polar Surface Area:
12.03

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2426538

Name:
(R)-1-(4-tert-Butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine

Mol. Formula:
C24H29N

M.W.:
331.50

Type:
Small molecule

AlogP:
6.33

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2426537

Name:
(S)-1-(4-tert-Butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine

Mol. Formula:
C24H29N

M.W.:
331.50

Type:
Small molecule

AlogP:
6.33

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2426533

Name:
(R)-N-(4-tert-Butyl-2,6-dimethylbenzyl)-N-methyl-1-(naphthalen-1-yl)ethanamShow More⌵

Mol. Formula:
C26H33N

M.W.:
359.56

Type:
Small molecule

AlogP:
6.95

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2426530

Name:
(R)-N-Methyl-1-(naphthalen-1-yl)-N-(3-(trifluoromethyl)benzyl)ethanamine

Mol. Formula:
C21H20F3N

M.W.:
343.39

Type:
Small molecule

AlogP:
6.05

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2426529

Name:
(R)-N-(3-Bromobenzyl)-N-methyl-1-(naphthalen-1-yl)ethanamine

Mol. Formula:
C20H20BrN

M.W.:
354.29

Type:
Small molecule

AlogP:
5.80

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2426523

Name:
(R)-N-(4-(Benzyloxy)benzyl)-N-methyl-1-(naphthalen-1-yl)ethanamine

Mol. Formula:
C27H27NO

M.W.:
381.52