Compounds

1 unique targets

Type:
Unknown

AlogP:
6.18

Polar Surface Area:
22.00

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4470870

Name:
(6aR,10aR)-6,6,9-trimethyl-3-(2-methylpentan-2-yl)-6a,7,8,10a-tetrahydro-6HShow More⌵

Mol. Formula:
C22H32O2

M.W.:
328.50

1 unique targets

Type:
Unknown

AlogP:
6.08

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4467282

Name:
Adamantan-1-yl-[1-(1-methyl-piperidin-2-ylmethyl)-1H-indol-3-yl]-methanone

Mol. Formula:
C26H34N2O

M.W.:
390.57

1 unique targets

Type:
Unknown

AlogP:
5.52

Polar Surface Area:
25.24

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3582020

Name:
6-(Cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-(5-(pyridin-3-yl)Show More⌵

Mol. Formula:
C23H24F2N6O3

M.W.:
470.48

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
106.27

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3582019

Name:
6-(Cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-((2-fluoroethyl)cShow More⌵

Mol. Formula:
C21H29F3N4O3

M.W.:
442.48

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
83.56

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3582018

Name:
6-(Cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-(methylcarbamoyl)Show More⌵

Mol. Formula:
C20H28F2N4O3

M.W.:
410.47

7 activity values

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
83.56

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3582017

Name:
N-(1-(5-Cyclobutyl-1,3,4-oxadiazol-2-yl)-2-methylpropan-2-yl)-6-(cyclopropyShow More⌵

Mol. Formula:
C24H33N5O4

M.W.:
455.56

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
102.61

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3582016

Name:
6-(Cyclopropylmethoxy)-N-((1-hydroxycyclohexyl)methyl)-5-(3-methoxyazetidinShow More⌵

Mol. Formula:
C21H31N3O4

M.W.:
389.50

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
83.92

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3582015

Name:
6-(Cyclopropylmethoxy)-N-(1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-2-metShow More⌵

Mol. Formula:
C26H30FN5O4

M.W.:
495.56

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
102.61

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3582014

Name:
6-(Cyclopropylmethoxy)-N-(3-(1-hydroxy-2-methylpropan-2-yl)isoxazol-5-yl)-5Show More⌵

Mol. Formula:
C20H26N4O5

M.W.:
402.45

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
112.94

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3582013

Name:
N-(3-(2-Amino-2-oxoethyl)oxetan-3-yl)-6-(cyclopropylmethoxy)-5-(3-methoxyazShow More⌵

Mol. Formula:
C19H26N4O5

M.W.:
390.44

Type:
Small molecule

AlogP:
0.08

Polar Surface Area:
116.01

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3582012

Name:
6-(Cyclopropylmethoxy)-N-(3-(3-fluoroazetidine-1-carbonyl)pentan-3-yl)-5-(3Show More⌵

Mol. Formula:
C23H33FN4O4

M.W.:
448.54

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
84.00

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3582011

Name:
6-(Cyclopropylmethoxy)-N-(3-((3-fluoropropyl)carbamoyl)-pentan-3-yl)-5-(3-mShow More⌵

Mol. Formula:
C23H35FN4O4

M.W.:
450.56

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
92.79

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3582010

Name:
6-(Cyclopropylmethoxy)-N-(3-((2-fluoroethyl)carbamoyl)-pentan-3-yl)-5-(3-meShow More⌵

Mol. Formula:
C22H33FN4O4

M.W.:
436.53

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
92.79

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3582009

Name:
6-(Cyclopropylmethoxy)-5-(3-methoxyazetidin-1-yl)-N-(3-(methylcarbamoyl)penShow More⌵

Mol. Formula:
C21H32N4O4

M.W.:
404.51

Type:
Small molecule

AlogP:
1.74

Polar Surface Area:
92.79

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3582008

Name:
Ethyl 2-(6-(Cyclopropylmethoxy)-5-(3-methoxyazetidin-1-yl)picolinamido)-2-eShow More⌵

Mol. Formula:
C22H33N3O5

M.W.:
419.52

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
89.99

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3398545

Name:
(Z)-7-((1R,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxy-5-phenylpent-1-en-1-yl)-5-oxShow More⌵

Mol. Formula:
C25H35NO5

M.W.:
429.56

11 activity values

10 unique targets

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
106.86

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3331464

Name:
6-Methyl-1-(2,4-dichlorophenyl)-N-(piperidinyl)-1,4-dihydrothieno[2',3'-4,5Show More⌵

Mol. Formula:
C21H20Cl2N4OS

M.W.:
447.39

Type:
Small molecule

AlogP:
5.25

Polar Surface Area:
50.16

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3331463

Name:
6-Methyl-1-(2,4-dichlorophenyl)-N-(homopiperidinyl)-1,4-dihydrothieno[2',3'Show More⌵

Mol. Formula:
C22H22Cl2N4OS

M.W.:
461.42

Type:
Small molecule

AlogP:
5.64

Polar Surface Area:
50.16

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3331462

Name:
6-Methyl-1-(2,4-dichlorophenyl)-N-(pyrrolidinyl)-1,4-dihydrothieno[2',3'-4,Show More⌵

Mol. Formula:
C20H18Cl2N4OS

M.W.:
433.36