Compounds

Type:
Small molecule

AlogP:
1.34

Polar Surface Area:
67.15

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3980319

Name:
1-(4-fluorophenyl)-2,2-dimethyl-N-(4-morpholinobutyl)cyclopropanecarboxamidShow More⌵

Mol. Formula:
C20H29FN2O2

M.W.:
348.46

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3922843

Name:
N-(3-(1H-imidazol-1-yl)propyl)-2-phenylacetamide

Mol. Formula:
C14H17N3O

M.W.:
243.31

Type:
Small molecule

AlogP:
1.63

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3920369

Name:
(1-(4-fluorophenyl)-2,2-dimethylcyclopropyl)(4-((3-methylpyridin-2-yl)methyShow More⌵

Mol. Formula:
C23H28FN3O

M.W.:
381.50

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
36.44

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3911439

Name:
N-(3-(1H-imidazol-1-yl)propyl)-2-(4-mercaptophenyl)acetamide

Mol. Formula:
C14H17N3OS

M.W.:
275.38

Type:
Small molecule

AlogP:
1.92

Polar Surface Area:
46.92

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3901327

Name:
1-(4-fluorophenyl)-2,2-dimethyl-N-(2-(pyridin-3-ylamino)ethyl)cyclopropanecShow More⌵

Mol. Formula:
C19H22FN3O

M.W.:
327.40

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
54.02

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3892385

Name:
N-(3-(2-aminothiazol-4-yl)propyl)-1-(4-fluorophenyl)-2,2-dimethylcyclopropaShow More⌵

Mol. Formula:
C18H22FN3OS

M.W.:
347.46

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
68.01

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3747749

Name:
5-(2H-Indazol-2-yl)-2-(piperidin-1-yl)-N-(p-tolyl)benzamide

Mol. Formula:
C26H26N4O

M.W.:
410.52

Type:
Small molecule

AlogP:
5.58

Polar Surface Area:
50.16

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3747367

Name:
2-(4-(Piperidin-1-yl)-3-(p-tolylcarbamoyl)phenyl)-2H-indazole-5-carboxylic Show More⌵

Mol. Formula:
C27H26N4O3

M.W.:
454.53

6 activity values

Type:
Small molecule

AlogP:
5.27

Polar Surface Area:
87.46

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3746821

Name:
2-(4-(Piperidin-1-yl)-3-(p-tolylcarbamoyl)phenyl)-2H-indazole-6-carboxylic Show More⌵

Mol. Formula:
C27H26N4O3

M.W.:
454.53

22 activity values

12 unique targets

Type:
Small molecule

AlogP:
5.27

Polar Surface Area:
87.46

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3746499

Name:
2-(4-(Piperidin-1-yl)-3-(p-tolylcarbamoyl)phenyl)-1H-indole-5-carboxylic acShow More⌵

Mol. Formula:
C28H27N3O3

M.W.:
453.54

Type:
Small molecule

AlogP:
6.08

Polar Surface Area:
85.43

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3747011

Name:
2-(4-(Piperidin-1-yl)-3-(p-tolylcarbamoyl)phenyl)benzofuran-5-carboxylic acShow More⌵

Mol. Formula:
C28H26N2O4

M.W.:
454.53

16 activity values

8 unique targets

Type:
Small molecule

AlogP:
6.35

Polar Surface Area:
82.78

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3745946

Name:
2-(4-(Piperidin-1-yl)-3-(p-tolylcarbamoyl)phenyl)-1Hbenzo[d]imidazole-5-carShow More⌵

Mol. Formula:
C27H26N4O3

M.W.:
454.53

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
98.32

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3747763

Name:
4-((4-(Piperidin-1-yl)-3-(p-tolylcarbamoyl)phenyl)carbamoyl)isophthalic aciShow More⌵

Mol. Formula:
C28H27N3O6

M.W.:
501.54

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
136.04

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3747533

Name:
2-((4-(Piperidin-1-yl)-3-(p-tolylcarbamoyl)phenyl)carbamoyl)terephthalic acShow More⌵

Mol. Formula:
C28H27N3O6

M.W.:
501.54

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
136.04

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3747586

Name:
5-amino-2-(piperidin-1-yl)-N-p-tolylbenzamide

Mol. Formula:
C19H23N3O

M.W.:
309.41

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
58.36

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA3746646

Name:
2-(4-Bromo-3-(p-tolylcarbamoyl)phenyl)-1,3-dioxoisoindoline-5-carboxylic acShow More⌵

Mol. Formula:
C23H15BrN2O5

M.W.:
479.29

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
103.78

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3745828

Name:
1,3-Dioxo-2-(4-(piperidin-1-yl)-3-(pyridin-3-ylmethylcarbamoyl)phenyl)isoinShow More⌵

Mol. Formula:
C27H24N4O5

M.W.:
484.51

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
119.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3746588

Name:
2-(4-(Hexylamino)-3-(hexylcarbamoyl)phenyl)-1,3-dioxoisoindoline-5-carboxylShow More⌵

Mol. Formula:
C28H35N3O5

M.W.:
493.60

Type:
Small molecule

AlogP:
5.49

Polar Surface Area:
115.81

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3746865

Name:
1,3-Dioxo-2-(4-(pyridin-3-ylmethylamino)-3-(pyridin-3-ylmethylcarbamoyl)pheShow More⌵

Mol. Formula:
C28H21N5O5

M.W.:
507.51