Compounds

ALA5271329

Name:
(2S)-2-[[(1S)-3-amino-1-[[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]carbamoShow More⌵

Mol. Formula:
C12H22N6O8

M.W.:
378.34

Type:
---

AlogP:
-5.17

Polar Surface Area:
246.20

HBA:
8

HBD:
9

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5289147

Name:
(2R)-2-[[(1R)-3-amino-1-[[[(2R,3S)-2-amino-3-hydroxy-butanoyl]amino]carbamoShow More⌵

Mol. Formula:
C12H22N6O8

M.W.:
378.34

Type:
---

AlogP:
-5.17

Polar Surface Area:
246.20

HBA:
8

HBD:
9

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4793935

Name:
(S)-1-(4-((2-Bromo-[1,1'-biphenyl]-3-yl)methoxy)-3-methylbenzyl)piperidine-Show More⌵

Mol. Formula:
C27H29NO3

M.W.:
415.53

4 activity values

3 unique targets

Type:
Unknown

AlogP:
5.68

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4590424

Name:
(2R,5S,8R,11R,14R,17S)-1-amino-17-((S)-2-amino-3-hydroxypropanamido)-8-(4-aShow More⌵

Mol. Formula:
C33H55N9O12

M.W.:
769.85

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-6.22

Polar Surface Area:
370.88

HBA:
14

HBD:
14

#RO5 Violations:
3

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4538686

Name:
(8R,13S,17S)-17-((R)-1-hydroxyethyl)-8-(hydroxymethyl)-6,9,12,15,18-pentaoxShow More⌵

Mol. Formula:
C17H29N7O10

M.W.:
491.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-6.32

Polar Surface Area:
259.54

HBA:
10

HBD:
9

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4535556

Name:
(S)-4-(cyclopropanesulfonamido)-N-(2-methoxyethyl)-4-(5-(2-methoxyphenyl)-1Show More⌵

Mol. Formula:
C19H26N4O6S

M.W.:
438.51

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.41

Polar Surface Area:
132.65

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4476446

Name:
(S)-1-((S)-1-(3-((1R,2R)-1-amino-2-hydroxypropyl)-1,2,4-oxadiazol-5-yl)-2-(Show More⌵

Mol. Formula:
C19H25N5O6

M.W.:
419.44

3 activity values

3 unique targets

Type:
Unknown

AlogP:
0.70

Polar Surface Area:
175.04

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4475393

Name:
(S)-6-amino-2-(3-((S)-4-amino-1-(2-((S)-2-amino-3-hydroxypropanoyl)hydrazinShow More⌵

Mol. Formula:
C14H27N7O7

M.W.:
405.41

4 activity values

2 unique targets

Type:
Unknown

AlogP:
-4.42

Polar Surface Area:
251.99

HBA:
8

HBD:
9

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4473963

Name:
(2S,4S)-N-((S)-3-amino-3-oxo-1-(3-(pyrrolidin-1-yl)-1,2,4-oxadiazol-5-yl)prShow More⌵

Mol. Formula:
C14H22N6O4

M.W.:
338.37

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-1.57

Polar Surface Area:
146.61

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4464798

Name:
(8S,13R,17R)-8-((R)-1-hydroxyethyl)-17-(hydroxymethyl)-6,9,12,15,18-pentaoxShow More⌵

Mol. Formula:
C17H29N7O10

M.W.:
491.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-6.32

Polar Surface Area:
259.54

HBA:
10

HBD:
9

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4462393

Name:
(2R,3R)-2-(3-((S)-3-amino-1-(3-((R)-1-amino-2-hydroxyethyl)-1,2,4-oxadiazolShow More⌵

Mol. Formula:
C12H20N6O7

M.W.:
360.33

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-2.89

Polar Surface Area:
226.92

HBA:
9

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

PD-1-IN-17

Name:
(S)-2-(3-((S)-4-amino-1-(5-((1S,2R)-1-amino-2-hydroxypropyl)-1,3,4-oxadiazoShow More⌵

Mol. Formula:
C13H22N6O7

M.W.:
374.35

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-2.50

Polar Surface Area:
226.92

HBA:
9

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4447482

Name:
(2R,5R,8S,17S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-3-hydrShow More⌵

Mol. Formula:
C34H53N9O12

M.W.:
779.85

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-6.27

Polar Surface Area:
344.94

HBA:
13

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.09

DETAILS