Compounds

ALA4563366

Name:
N-(1-(tert-butylamino)-3-((4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-((2R,3R,4S,5S,Show More⌵

Mol. Formula:
C52H83N3O15

M.W.:
990.24

3 activity values

1 unique targets

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
232.32

HBA:
16

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4554128

Name:
N-(1-(tert-butylamino)-3-((4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-((2R,3R,4S,5S,Show More⌵

Mol. Formula:
C51H89N3O15

M.W.:
984.28

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.68

Polar Surface Area:
232.32

HBA:
16

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4549457

Name:
N-(1-(butylamino)-3-((4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-((2R,3R,4S,5S,6R)-4Show More⌵

Mol. Formula:
C54H87N3O15

M.W.:
1018.30

2 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4547964

Name:
N-(1-(butylamino)-3-((4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-((2R,3R,4S,5S,6R)-4Show More⌵

Mol. Formula:
C49H85N3O15

M.W.:
956.22

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.91

Polar Surface Area:
232.32

HBA:
16

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4535710

Name:
Desmycosin

Mol. Formula:
C39H65NO14

M.W.:
771.94

3 activity values

1 unique targets

Type:
Unknown

AlogP:
1.56

Polar Surface Area:
199.98

HBA:
15

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4528190

Name:
tert-butyl 2-(N-(1-(tert-butylamino)-3-((4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-Show More⌵

Mol. Formula:
C58H94N4O17

M.W.:
1119.40

2 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4513259

Name:
1-(tert-butylamino)-3-((4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-((2R,3R,4S,5S,6R)Show More⌵

Mol. Formula:
C48H82N2O16

M.W.:
943.18

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.99

Polar Surface Area:
238.31

HBA:
17

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4472796

Name:
N-(4-aminobutyl)-N-(1-(tert-butylamino)-3-((4R,5S,6S,7R,9R,11E,13E,15R,16R)Show More⌵

Mol. Formula:
C55H90N4O15

M.W.:
1047.34

2 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4472343

Name:
N-(1-(tert-butylamino)-3-((4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-((2R,3R,4S,5S,Show More⌵

Mol. Formula:
C56H91N3O15

M.W.:
1046.35

2 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4468477

Name:
N-(1-(tert-butylamino)-3-((4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-((2R,3R,4S,5S,Show More⌵

Mol. Formula:
C53H85N3O15

M.W.:
1004.27

2 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4468346

Name:
N-(1-(tert-butylamino)-3-((4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-((2R,3R,4S,5S,Show More⌵

Mol. Formula:
C57H85N3O15

M.W.:
1052.31

2 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4464429

Name:
1-(tert-butylamino)-3-((4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-((2R,3R,4S,5S,6R)Show More⌵

Mol. Formula:
C51H80N2O16

M.W.:
977.20

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
238.31

HBA:
17

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4458825

Name:
benzyl 3-(N-(1-(tert-butylamino)-3-((4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-((2RShow More⌵

Mol. Formula:
C62H94N4O17

M.W.:
1167.44

2 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4456382

Name:
N-tert-butyl-3-((4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-((2R,3R,4S,5S,6R)-4-(dimShow More⌵

Mol. Formula:
C50H87N3O15

M.W.:
970.25

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.29

Polar Surface Area:
232.32

HBA:
16

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4456226

Name:
N-(1-(cyclohexylamino)-3-((4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-((2R,3R,4S,5S,Show More⌵

Mol. Formula:
C56H89N3O15

M.W.:
1044.33

2 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4454720

Name:
N-(4-azidobutyl)-N-(1-(tert-butylamino)-3-((4R,5S,6S,7R,9R,11E,13E,15R,16R)Show More⌵

Mol. Formula:
C55H88N6O15

M.W.:
1073.34

2 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4446089

Name:
(R)-N-tert-butyl-3-((4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-((2R,3R,4S,5S,6R)-4-Show More⌵

Mol. Formula:
C47H81N3O15

M.W.:
928.17

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.13

Polar Surface Area:
232.32

HBA:
16

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4445897

Name:
N-(1-(tert-butylamino)-3-((4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-((2R,3R,4S,5S,Show More⌵

Mol. Formula:
C49H85N3O15

M.W.:
956.22

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.91

Polar Surface Area:
232.32

HBA:
16

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4444379

Name:
N-(1-(tert-butylamino)-3-((4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-((2R,3R,4S,5S,Show More⌵

Mol. Formula:
C54H87N3O15

M.W.:
1018.30

2 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4440196

Name:
N-(1-(tert-butylamino)-3-((4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-((2R,3R,4S,5S,Show More⌵

Mol. Formula:
C54H87N3O15

M.W.:
1018.30

2 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS