Compounds

ALA5272444

Name:
4-Amino-N-(6-(1-(2-((4-methyl-3-(trifluoromethyl)phenyl)amino)-2-oxoethyl)-Show More⌵

Mol. Formula:
C27H22F3N7O2

M.W.:
533.51

Type:
---

AlogP:
5.23

Polar Surface Area:
130.72

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5270672

Name:

Mol. Formula:
C20H20FN5O2

M.W.:
381.41

Type:
---

AlogP:
3.09

Polar Surface Area:
80.55

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5269027

Name:
6-(2-Amino-pyrimidin-4-yloxy)-naphthalene-1-carboxylic Acid [4-(4-Methyl-piShow More⌵

Mol. Formula:
C27H25F3N6O2

M.W.:
522.53

Type:
---

AlogP:
5.03

Polar Surface Area:
96.61

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5268513

Name:
{4-[5-(4-Fluoro-3-trifluoromethyl-phenylcarbamoyl)-naphthalen-2-yloxy]-pyriShow More⌵

Mol. Formula:
C24H16F4N4O4

M.W.:
500.41

Type:
---

AlogP:
6.01

Polar Surface Area:
102.44

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5268406

Name:
4-acetamido-5-(2-(3,4-dihydroxybenzylidene)hydrazine-1-carbonyl)-N-(4-methoShow More⌵

Mol. Formula:
C28H25N5O6S

M.W.:
559.60

Type:
---

AlogP:
4.89

Polar Surface Area:
161.38

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5281172

Name:
N-(6-morpholinopyridin-3-yl)-2-(6-phenylimidazo[2,1-b]thiazol-3-yl)acetamidShow More⌵

Mol. Formula:
C22H21N5O2S

M.W.:
419.51

Type:
---

AlogP:
3.48

Polar Surface Area:
71.76

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5278387

Name:
6-[5-(3-Trifluoromethyl-phenylcarbamoyl)-naphthalen-2-yloxy]-pyrimidine-4-cShow More⌵

Mol. Formula:
C25H18F3N3O4

M.W.:
481.43

Type:
---

AlogP:
5.87

Polar Surface Area:
90.41

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5275552

Name:
N-(6-(1-(2-((4-methyl-3-(trifluoromethyl)phenyl)amino)-2-oxoethyl)-1H-pyrazShow More⌵

Mol. Formula:
C31H29F3N8O2

M.W.:
602.62

Type:
---

AlogP:
5.05

Polar Surface Area:
119.97

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5273702

Name:
7-(3,5-dimethoxy-phenyl)-5-ethyl-3-(pyridin-4-ylamino)-5H-pyrido-[2,3-e]-1,Show More⌵

Mol. Formula:
C21H20N6O3

M.W.:
404.43

Type:
---

AlogP:
3.03

Polar Surface Area:
104.05

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5272957

Name:
6-(6-Cyano-pyrimidin-4-yloxy)-naphthalene-1-carboxylic Acid (3-TrifluorometShow More⌵

Mol. Formula:
C23H13F3N4O2

M.W.:
434.38

Type:
---

AlogP:
5.56

Polar Surface Area:
87.90

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5283863

Name:
6-(6-Amino-pyrimidin-4-yloxy)-naphthalene-1-carboxylic Acid (3-Ethylphenyl)Show More⌵

Mol. Formula:
C23H20N4O2

M.W.:
384.44

Type:
---

AlogP:
4.82

Polar Surface Area:
90.13

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5290309

Name:
4-(2-((4-chlorophenyl)amino)acetamido)-5-cyano-N-(4-methoxyphenyl)-2-(phenyShow More⌵

Mol. Formula:
C27H22ClN5O3S

M.W.:
532.03

Type:
---

AlogP:
6.33

Polar Surface Area:
115.28

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5288484

Name:
2-(6-(4-chlorophenyl)imidazo[2,1-b]thiazol-3-yl)-N-(6-(4-(4-methoxybenzyl)pShow More⌵

Mol. Formula:
C30H29ClN6O2S

M.W.:
573.12

Type:
---

AlogP:
5.62

Polar Surface Area:
75.00

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5277465

Name:
2-((5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-(4-Show More⌵

Mol. Formula:
C22H19N5O4S

M.W.:
449.49

Type:
---

AlogP:
3.25

Polar Surface Area:
140.46

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5266162

Name:
6-(2-Amino-6-chloro-pyrimidin-4-yloxy)-naphthalene-1-carboxylic Acid (3-TriShow More⌵

Mol. Formula:
C22H14ClF3N4O2

M.W.:
458.83

Type:
---

AlogP:
5.93

Polar Surface Area:
90.13

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5208686

Name:
1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(6-oxo-1,6-dihydropyridazin-3-yShow More⌵

Mol. Formula:
C18H12ClF3N4O2

M.W.:
408.77

1 activity values

1 unique targets

Type:
---

AlogP:
4.75

Polar Surface Area:
86.88

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5208660

Name:
2-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)-N-phenylhydrazinecarbothioamide

Mol. Formula:
C16H13N7S

M.W.:
335.40

1 activity values

1 unique targets

Type:
---

AlogP:
2.59

Polar Surface Area:
79.17

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5206681

Name:
N-(4-fluorophenyl)-2-(2-oxo-3-(2-(pyridin-4-yl)vinyl)quinoxalin-1(2H)-yl)acShow More⌵

Mol. Formula:
C23H17FN4O2

M.W.:
400.41

7 activity values

7 unique targets

Type:
---

AlogP:
3.74

Polar Surface Area:
76.88

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5206146

Name:
(3E)-5-methoxy-3-[(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-ylShow More⌵

Mol. Formula:
C19H15N7O2S

M.W.:
405.44

3 activity values

3 unique targets

Type:
---

AlogP:
2.41

Polar Surface Area:
105.79

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5205255

Name:
1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(4-chlorophthalazin-1-yloxy)pheShow More⌵

Mol. Formula:
C22H13Cl2F3N4O2

M.W.:
493.27

2 activity values

2 unique targets

Type:
---

AlogP:
7.39

Polar Surface Area:
76.14

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS