Compounds

ALA5266871

Name:
(S)-N-((S)-1-(2-amino-2-oxoethylamino)-4-methyl-1-oxopentan-2-yl)-1-((3S,6SShow More⌵

Mol. Formula:
C45H69N13O13

M.W.:
1000.12

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5281925

Name:
(S)-N-((S)-1-(2-amino-2-oxoethylamino)-4-methyl-1-oxopentan-2-yl)-1-((3S,6SShow More⌵

Mol. Formula:
C44H67N13O13

M.W.:
986.10

Type:
---

AlogP:
-5.48

Polar Surface Area:
428.63

HBA:
14

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5280014

Name:
(S)-N-(1-((R)-1-amino-1-oxo-3-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyShow More⌵

Mol. Formula:
C49H75N13O19

M.W.:
1150.21

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5279634

Name:
(S)-N-((S)-1-(2-((S)-1-amino-3-((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymeShow More⌵

Mol. Formula:
C59H92N14O25

M.W.:
1397.46

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5275543

Name:
(S)-N-((S)-1-((S)-1-amino-1-oxo-3-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydShow More⌵

Mol. Formula:
C52H81N13O19

M.W.:
1192.29

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5273426

Name:
(S)-N-((S)-1-((S)-1-amino-3-((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyShow More⌵

Mol. Formula:
C57H89N13O24

M.W.:
1340.41

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5286119

Name:
(S)-N-(1-(2-((S)-1-amino-1-oxo-3-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrShow More⌵

Mol. Formula:
C52H80N14O20

M.W.:
1221.29

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5271164

Name:
(S)-N-(1-((S)-1-amino-1-oxo-3-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyShow More⌵

Mol. Formula:
C50H77N13O19

M.W.:
1164.24

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4591943

Name:
3-(2-chloro-4-fluorophenyl)-6-(5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-Show More⌵

Mol. Formula:
C21H22ClFN6O2

M.W.:
444.90

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.93

Polar Surface Area:
68.54

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4589487

Name:
(2S)-1-[(3R,6S,9S,12R,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-1Show More⌵

Mol. Formula:
C63H103N13O16S2

M.W.:
1362.73

2 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4583231

Name:
(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-N-(2-((S)-1-(2-aminShow More⌵

Mol. Formula:
C43H68N12O13S2

M.W.:
1025.22

25 activity values

6 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4580192

Name:
1-(2-chloro-4-fluorobenzyl)-4-(5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-Show More⌵

Mol. Formula:
C21H24ClFN6O2

M.W.:
446.91

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.93

Polar Surface Area:
68.54

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4576147

Name:
6'-fluoro-1-(5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-4H-1,2,4-triazol-3Show More⌵

Mol. Formula:
C21H22FN5O3

M.W.:
411.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.54

Polar Surface Area:
74.53

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4567752

Name:
N1,N14-bis((S)-5-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-aShow More⌵

Mol. Formula:
C100H154N24O26S4

M.W.:
2236.74

12 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4564152

Name:
(S)-N-((S)-6-amino-1-(2-amino-2-oxoethylamino)-1-oxohexan-2-yl)-1-((4R,7S,1Show More⌵

Mol. Formula:
C43H66N12O12S2

M.W.:
1007.21

16 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4560499

Name:
3a-(2-chloro-4-fluorophenyl)-5-(5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)Show More⌵

Mol. Formula:
C22H23ClFN5O3

M.W.:
459.91

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
74.53

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4560445

Name:
18-[2-[2-[2-[2-[[2-[(2R)-2-[[2-[[(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-Show More⌵

Mol. Formula:
C67H111N13O19S2

M.W.:
1466.83

4 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4557241

Name:
5-(3-(1-(2-chloro-4-fluorobenzyl)piperidin-4-yl)-5-(methoxymethyl)-4H-1,2,4Show More⌵

Mol. Formula:
C22H25ClFN5O2

M.W.:
445.93

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.99

Polar Surface Area:
65.30

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4550879

Name:
4-(((4R,7S,10S,13S,16S,19R)-7-(2-amino-2-oxoethyl)-4-((S)-2-((S)-1-(2-aminoShow More⌵

Mol. Formula:
C74H124N12O15S2

M.W.:
1486.01

6 activity values

4 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4550811

Name:
(2S)-1-[(3R,6S,9R,12S,15S)-6-(2-amino-2-oxoethyl)-9-[(2-amino-2-oxoethyl)suShow More⌵

Mol. Formula:
C44H67N11O12S2

M.W.:
1006.22

2 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS