Compounds

ALA4649736

Name:
4-amino-5-[[3-[(2-cyclohexylacetyl)amino]-3-methyl-butanoyl]amino]pyridine-Show More⌵

Mol. Formula:
C19H28N4O4

M.W.:
376.46

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.56

Polar Surface Area:
134.41

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4649656

Name:
4-amino-5-[[3-methyl-3-[[octadec-9-enoyl]amino]butanoyl]amino]pyridine-3-caShow More⌵

Mol. Formula:
C29H48N4O4

M.W.:
516.73

2 activity values

1 unique targets

Type:
Unknown

AlogP:
6.62

Polar Surface Area:
134.41

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4649519

Name:
4-amino-5-[[3-methyl-3-(pyrrolidine-3-carbonylamino)butanoyl]amino]pyridineShow More⌵

Mol. Formula:
C16H23N5O4

M.W.:
349.39

2 activity values

1 unique targets

Type:
Unknown

AlogP:
0.19

Polar Surface Area:
146.44

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4648866

Name:
4-amino-5-[[3-[[(2S,3S)-2-[[(2S)-2-amino-2-cyclohexyl-acetyl]amino]-3-methyShow More⌵

Mol. Formula:
C25H40N6O5

M.W.:
504.63

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.02

Polar Surface Area:
189.53

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4648530

Name:
4-amino-5-[[3-(2,2-dimethylpropanoylamino)-3-methyl-butanoyl]amino]pyridineShow More⌵

Mol. Formula:
C16H24N4O4

M.W.:
336.39

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.63

Polar Surface Area:
134.41

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4647477

Name:
4-amino-5-[[3-(3,3-dimethylbutanoylamino)-3-methyl-butanoyl]amino]pyridine-Show More⌵

Mol. Formula:
C17H26N4O4

M.W.:
350.42

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.02

Polar Surface Area:
134.41

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4645850

Name:
4-amino-5-[(3-benzamido-3-methyl-butanoyl)amino]pyridine-3-carboxylic acid

Mol. Formula:
C18H20N4O4

M.W.:
356.38

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.90

Polar Surface Area:
134.41

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4645848

Name:
4-amino-5-[[3-methyl-3-[[2-[(3S)-pyrrolidin-3-yl]acetyl]amino]butanoyl]aminShow More⌵

Mol. Formula:
C17H25N5O4

M.W.:
363.42

2 activity values

1 unique targets

Type:
Unknown

AlogP:
0.59

Polar Surface Area:
146.44

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4644953

Name:
4-amino-5-[[3-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-butanoyl]amino]pShow More⌵

Mol. Formula:
C18H27N5O4

M.W.:
377.45

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.25

Polar Surface Area:
160.43

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4644266

Name:
4-amino-5-[[3-(dodecanoylamino)-3-methyl-butanoyl]amino]pyridine-3-carboxylShow More⌵

Mol. Formula:
C23H38N4O4

M.W.:
434.58

2 activity values

1 unique targets

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
134.41

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4644210

Name:
4-amino-5-[[3-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methyl-butanoyShow More⌵

Mol. Formula:
C20H31N5O4

M.W.:
405.50

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.88

Polar Surface Area:
160.43

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4644184

Name:
4-amino-5-[[3-[[(2S)-2-[[(2S)-2-amino-2-cyclohexyl-acetyl]amino]-2-cyclohexShow More⌵

Mol. Formula:
C27H42N6O5

M.W.:
530.67

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.56

Polar Surface Area:
189.53

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4643653

Name:
4-amino-5-[[3-methyl-3-[(1-phenylcyclopropanecarbonyl)amino]butanoyl]amino]Show More⌵

Mol. Formula:
C21H24N4O4

M.W.:
396.45

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.32

Polar Surface Area:
134.41

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4641620

Name:
4-amino-5-[[3-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-2-cyclohexyl-aceShow More⌵

Mol. Formula:
C30H48N6O7

M.W.:
604.75

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.59

Polar Surface Area:
201.84

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4641360

Name:
4-amino-5-[[3-[(2-cyclopentylacetyl)amino]-3-methyl-butanoyl]amino]pyridineShow More⌵

Mol. Formula:
C18H26N4O4

M.W.:
362.43

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.17

Polar Surface Area:
134.41

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4640508

Name:
4-amino-5-[[3-methyl-3-(tetralin-5-carbonylamino)butanoyl]amino]pyridine-3-Show More⌵

Mol. Formula:
C22H26N4O4

M.W.:
410.47

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.78

Polar Surface Area:
134.41

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4639904

Name:
4-amino-5-[[3-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amShow More⌵

Mol. Formula:
C17H27N5O4

M.W.:
365.43

2 activity values

1 unique targets

Type:
Unknown

AlogP:
0.96

Polar Surface Area:
160.43

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4639683

Name:
4-amino-5-[[3-[(4-aminobenzoyl)amino]-3-methyl-butanoyl]amino]pyridine-3-caShow More⌵

Mol. Formula:
C18H21N5O4

M.W.:
371.40

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.48

Polar Surface Area:
160.43

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4639370

Name:
4-amino-5-[[3-(cyclohexanecarbonylamino)-3-methyl-butanoyl]amino]pyridine-3Show More⌵

Mol. Formula:
C18H26N4O4

M.W.:
362.43

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.17

Polar Surface Area:
134.41

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4639075

Name:
4-amino-5-[[3-[[(4R)-4-amino-5-phenyl-pentanoyl]amino]-3-methyl-butanoyl]amShow More⌵

Mol. Formula:
C22H29N5O4

M.W.:
427.51

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.94

Polar Surface Area:
160.43

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS