Compounds

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4636493

Name:
4-((6S,9S,12S,15S,18S,21S,24S)-1,6-diamino-15,18-bis(4-hydroxybenzyl)-9,12,Show More⌵

Mol. Formula:
C51H74N12O12S2

M.W.:
1111.36

8 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4632808

Name:
4-((2S,5S,8S,11S,14S,17S,20S)-20-((1H-imidazol-4-yl)methyl)-5-(3-amino-3-oxShow More⌵

Mol. Formula:
C49H79N13O11S2

M.W.:
1090.38

8 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4299607

Name:
5-((2S,4R)-2-((2S,5S,8S,11S,14S,17S)-11-(3-amino-3-oxopropyl)-8-cyclohexyl-Show More⌵

Mol. Formula:
C65H89N9O25

M.W.:
1396.46

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3800316

Name:
5-((2S,4R)-2-((2S)-1-((2S)-1-((1S)-2-((2S)-5-amino-1-(4-((amino(bis(2-chlorShow More⌵

Mol. Formula:
C40H58Cl2F4N9O13P

M.W.:
1050.83

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3800423

Name:
5-((2S,4R)-2-((2S)-1-((2S)-1-((1S)-2-((2S)-5-amino-1-(4-((amino(bis(2-chlorShow More⌵

Mol. Formula:
C40H60Cl2F2N9O13P

M.W.:
1014.85

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3797786

Name:
5-((2S,4R)-2-((2S)-1-((2S)-1-((1S)-2-((2S)-5-amino-1-(4-((amino(bis(2-chlorShow More⌵

Mol. Formula:
C40H61Cl2FN9O13P

M.W.:
996.86

Type:
Small molecule

AlogP:
0.14

Polar Surface Area:
342.22

HBA:
12

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA3800345

Name:
5-((2S,4R)-2-((2S)-1-((2S)-1-((1S)-2-((2S)-5-amino-1-(4-((amino(bis(2-chlorShow More⌵

Mol. Formula:
C40H61Cl2FN9O13P

M.W.:
996.86

Type:
Small molecule

AlogP:
0.14

Polar Surface Area:
342.22

HBA:
12

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA3797733

Name:
5-((2S,4R)-2-((2S)-1-((2S)-1-((1S)-2-((2S)-5-amino-1-(4-((amino(bis(2-chlorShow More⌵

Mol. Formula:
C40H62Cl2N9O13P

M.W.:
978.87

Type:
Small molecule

AlogP:
0.00

Polar Surface Area:
342.22

HBA:
12

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA3133453

Name:
3-((1R,4S,7S,10S,13R,18R,21S,24S,27R,30S,33S,36S,39S)-30,33-bis((1H-imidazoShow More⌵

Mol. Formula:
C70H89N19O17S4

M.W.:
1596.87

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3133376

Name:
3-((1R,4S,7S,10S,13R,18R,21S,24S,27R,30S,33S,36S,39S)-30,33-bis((1H-imidazoShow More⌵

Mol. Formula:
C64H85N19O16S4

M.W.:
1504.77

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3133375

Name:
3-((1R,4S,7S,10S,13S,16R,21R,24S,27S,30S,33R,36S,39S)-36-((1H-imidazol-5-ylShow More⌵

Mol. Formula:
C61H83N17O17S4

M.W.:
1454.71

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3133374

Name:
(1R,4S,7S,10S,13R,18R,21S,24S,27R,30S,33S,36S,39S)-24-((1H-indol-3-yl)methyShow More⌵

Mol. Formula:
C59H85N15O15S4

M.W.:
1372.69

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3133373

Name:
(1R,4S,7S,10S,13R,18R,21S,24S,27R,30S,33S,36S,39S)-33-((1H-imidazol-5-yl)meShow More⌵

Mol. Formula:
C62H87N17O15S4

M.W.:
1438.75

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3133372

Name:
(1R,4S,7S,10S,13R,18R,21S,24S,27R,30S,33S,36S,39S)-30-((1H-imidazol-5-yl)meShow More⌵

Mol. Formula:
C62H87N17O15S4

M.W.:
1438.75

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3133371

Name:
3-((1R,4S,7S,10S,13R,18R,21S,24S,27R,30S,33S,36S,39S)-24-((1H-indol-3-yl)meShow More⌵

Mol. Formula:
C61H87N15O17S4

M.W.:
1430.72

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3133370

Name:
(4R,7S,10S,22S,25S,28S,31R)-10-((1H-indol-3-yl)methyl)-31-amino-22-(4-hydroShow More⌵

Mol. Formula:
C46H65N9O11S2

M.W.:
984.21

Type:
Small molecule

AlogP:
0.89

Polar Surface Area:
323.27

HBA:
13

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3133369

Name:
E/Z-3-((2S,5S,8S,11S,14S,19S,)-8,11-bis((1H-imidazol-5-yl)methyl)-19-((S)-2Show More⌵

Mol. Formula:
C53H66N14O12

M.W.:
1091.20

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3133368

Name:
E/Z-(S)-2-((2S,5S,8S,11S,14S,19S,)-8,11-bis((1H-imidazol-5-yl)methyl)-19-((Show More⌵

Mol. Formula:
C53H65N13O13

M.W.:
1092.18

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3133367

Name:
E/Z-(1S,4S,7S,10S,13R,18R,21S,24S,27S,30S,33S,36S,39S)-30,33-bis((1H-imidazShow More⌵

Mol. Formula:
C72H90N18O18S2

M.W.:
1559.75

2 activity values