Compounds

ALA4581285

Name:
(2S,4S)-1-(4-(aminomethyl)-3-methylbenzoyl)-4-(4-cyclopropyl-1H-1,2,3-triazShow More⌵

Mol. Formula:
C33H36N6O2

M.W.:
548.69

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
106.14

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4558179

Name:
((2S,4S)-1-(4-(aminomethyl)-3-methoxybenzoyl)-4-(4-cyclopropyl-1H-1,2,3-triShow More⌵

Mol. Formula:
C29H34N6O3

M.W.:
514.63

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
106.58

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4557806

Name:
(2S,4S)-1-(4-(aminomethyl)-3-methoxybenzoyl)-4-(4-cyclopropyl-1H-1,2,3-triaShow More⌵

Mol. Formula:
C27H32N6O3

M.W.:
488.59

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.44

Polar Surface Area:
115.37

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4532092

Name:
(2S,4S)-1-(4-(aminomethyl)-3-methoxybenzoyl)-4-(4-cyclopropyl-1H-1,2,3-triaShow More⌵

Mol. Formula:
C28H32N6O3

M.W.:
500.60

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
115.37

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4475317

Name:
((2S,4S)-1-(4-(aminomethyl)-3-methoxybenzoyl)-4-(4-cyclopropyl-1H-1,2,3-triShow More⌵

Mol. Formula:
C29H34N6O3

M.W.:
514.63

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
106.58

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4440518

Name:
(2S,4S)-1-(4-(aminomethyl)-3-fluorobenzoyl)-4-(4-cyclopropyl-1H-1,2,3-triazShow More⌵

Mol. Formula:
C32H33FN6O2

M.W.:
552.65

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
106.14

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4113549

Name:
US9199927, 23

Mol. Formula:
C26H25ClN4O5

M.W.:
508.96

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
154.60

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4113470

Name:
US9199927, 95

Mol. Formula:
C29H29ClN4O8

M.W.:
597.02

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
201.13

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4109828

Name:
US9199927, 71

Mol. Formula:
C29H25N5O8

M.W.:
571.55

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
214.02

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4106875

Name:
US9199927, 102

Mol. Formula:
C27H23N5O7S

M.W.:
561.58

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
196.00

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA3985783

Name:
US9199927, 33

Mol. Formula:
C26H25ClN4O5

M.W.:
508.96

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
145.81

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3985298

Name:
US9199927, 24

Mol. Formula:
C25H22F2N4O5

M.W.:
496.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
154.60

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3985101

Name:
US9199927, 63

Mol. Formula:
C25H23ClN4O7S

M.W.:
559.00

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
183.11

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA3980104

Name:
US9199927, 61

Mol. Formula:
C26H24ClN5O7

M.W.:
553.96

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
186.35

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3979741

Name:
US9199927, 96

Mol. Formula:
C30H31ClN4O8

M.W.:
611.05

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
201.13

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3977663

Name:
US9199927, 31

Mol. Formula:
C26H22ClF3N4O5

M.W.:
562.93

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
154.60

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3977211

Name:
US9199927, 22

Mol. Formula:
C26H21N5O5

M.W.:
483.48

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
167.49

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3973384

Name:
US9199927, 119

Mol. Formula:
C26H23N5O5

M.W.:
485.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
170.39

HBA:
5

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA3972244

Name:
US9199927, 28

Mol. Formula:
C27H23N5O5

M.W.:
497.51

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
167.49

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3971081

Name:
US9199927, 14

Mol. Formula:
C25H22ClFN4O5

M.W.:
512.93

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
154.60

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.13

DETAILS