Compounds

ALA5272269

Name:
(2S)-4-methyl-2-[(4S)-3-oxo-4-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-4Show More⌵

Mol. Formula:
C25H30N2O4S

M.W.:
454.59

Type:
---

AlogP:
3.10

Polar Surface Area:
86.71

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5272027

Name:
trisodium 5-[4'-({N-[(1S)-1-carboxylato-2-methylpropyl]pentanamido}methyl)-Show More⌵

Mol. Formula:
C48H59N6Na3O10

M.W.:
949.00

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5269447

Name:
(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2Show More⌵

Mol. Formula:
C99H161BrN34O20

M.W.:
2227.50

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5282440

Name:
(S)-2-(2-((S)-2-((S)-1-((7S,10S,13S,16S,19S)-16-((1H-imidazol-4-yl)methyl)-Show More⌵

Mol. Formula:
C73H115BrN22O16

M.W.:
1636.77

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5278343

Name:
(S)-2-(2-((S)-2-((S)-1-((7S,10S,13S,16S,19S)-16-((1H-imidazol-4-yl)methyl)-Show More⌵

Mol. Formula:
C101H165BrN34O20

M.W.:
2255.55

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5278191

Name:
(S)-2-(2-((S)-2-((S)-1-((7S,10S,13S,16S,19S)-16-((1H-imidazol-4-yl)methyl)-Show More⌵

Mol. Formula:
C98H161BrN34O20

M.W.:
2215.49

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5276383

Name:
(S)-2-(2-((S)-2-((S)-1-((7S,10S,13S,16S,19S)-16-((1H-imidazol-4-yl)methyl)-Show More⌵

Mol. Formula:
C100H163BrN34O20

M.W.:
2241.53

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5273372

Name:
(S)-2-(2-((S)-2-((S)-1-((7S,10S,13S,16S,19S)-16-((1H-imidazol-4-yl)methyl)-Show More⌵

Mol. Formula:
C97H159BrN34O20

M.W.:
2201.46

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5286901

Name:
(S)-2-(2-((S)-2-((S)-1-((6S,9S,12S,15S,18S)-15-((1H-imidazol-4-yl)methyl)-1Show More⌵

Mol. Formula:
C100H163BrN34O20

M.W.:
2241.53

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5283358

Name:
(S)-2-(2-((S)-2-((S)-1-((6S,9S,12S,15S,18S)-15-((1H-imidazol-4-yl)methyl)-1Show More⌵

Mol. Formula:
C72H113BrN22O16

M.W.:
1622.74

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5265964

Name:
(S)-2-(2-((S)-2-((S)-1-((7S,10S,13S,16S,19S)-16-((1H-imidazol-4-yl)methyl)-Show More⌵

Mol. Formula:
C70H111BrN22O16

M.W.:
1596.70

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4786514

Name:
(R)-4,4,4-trifluoro-3-((S)-1-mercapto-3-phenylpropan-2-ylamino)butanoic aciShow More⌵

Mol. Formula:
C13H16F3NO2S

M.W.:
307.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.52

Polar Surface Area:
49.33

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4592467

Name:
4-[[(1R)-1-(carboxymethyl)-2-[4-(o-tolyl)phenyl]ethyl]amino]-4-oxobutanoic Show More⌵

Mol. Formula:
C21H23NO5

M.W.:
369.42

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.03

Polar Surface Area:
103.70

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4568947

Name:
4-[[(1R)-1-(carboxymethyl)-2-[4-(3-nitrophenyl)phenyl]ethyl]amino]-4-oxobutShow More⌵

Mol. Formula:
C20H20N2O7

M.W.:
400.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.63

Polar Surface Area:
146.84

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4564942

Name:
4-[[(1R)-1-(carboxymethyl)-2-[4-(2-ethoxyphenyl)phenyl]ethyl]amino]-4-oxobuShow More⌵

Mol. Formula:
C22H25NO6

M.W.:
399.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
112.93

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4559586

Name:
4-[[(1R)-1-(carboxymethyl)-2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]amiShow More⌵

Mol. Formula:
C21H20F3NO5

M.W.:
423.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
103.70

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4557208

Name:
4-[[(1R)-1-(carboxymethyl)-2-[4-(m-tolyl)phenyl]ethyl]amino]-4-oxobutanoic Show More⌵

Mol. Formula:
C21H23NO5

M.W.:
369.42

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.03

Polar Surface Area:
103.70

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4550194

Name:
4-[[(1R)-1-[[4-(3-acetamidophenyl)phenyl]methyl]-2-carboxyethyl]amino]-4-oxShow More⌵

Mol. Formula:
C22H24N2O6

M.W.:
412.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.68

Polar Surface Area:
132.80

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4548017

Name:
4-[[(1R)-1-(carboxymethyl)-2-[4-(3-chloro-2-methoxyphenyl)phenyl]ethyl]aminShow More⌵

Mol. Formula:
C21H22ClNO6

M.W.:
419.86

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
112.93

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4547205

Name:
4-[[(1R)-1-(carboxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]amiShow More⌵

Mol. Formula:
C21H20F3NO5

M.W.:
423.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
103.70

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.57

DETAILS