Compounds

Type:
---

AlogP:
-2.25

Polar Surface Area:
255.91

HBA:
17

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5201689

Name:
(2S,3R,4R,5S,6S)-2-methyl-6-(((2S,3R,4R,5S,6S)-2-methyl-6-(((2S,3R,4R,5S,6SShow More⌵

Mol. Formula:
C32H49Na9O44S9

M.W.:
1633.21

10 activity values

3 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5209137

Name:
(2S,3R,4R,5S,6S)-2-methyl-6-(((2S,3R,4R,5S,6S)-2-methyl-6-(((2S,3R,4R,5S,6SShow More⌵

Mol. Formula:
C32H49Na9O44S9

M.W.:
1633.21

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5195120

Name:
(2S,3S,4R,5S,6S)-2-(((2S,3S,4S,5S,6S)-6-(((2S,3S,4S,5S,6S)-6-(((2S,3S,4S,5SShow More⌵

Mol. Formula:
C32H58O17

M.W.:
714.80

Type:
---

AlogP:
-2.25

Polar Surface Area:
255.91

HBA:
17

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5195094

Name:
N-(3beta-O-[2,4-Di-O-(alpha-L-Rhamnopyranosyl)-beta-D-glucopyranosyl]-urs-1Show More⌵

Mol. Formula:
C56H87NO17

M.W.:
1046.30

26 activity values

6 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5190954

Name:
(2S,3R,4R,5S,6S)-2-methyl-6-(((2S,3R,4R,5S,6S)-2-methyl-6-(((2S,3R,4R,5S,6SShow More⌵

Mol. Formula:
C32H49Na9O44S9

M.W.:
1633.21

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5175005

Name:
(2S,3S,4R,5S,6S)-2-(((2S,3S,4R,5R,6S)-2-(((2S,3S,4R,5R,6S)-2-(((2S,3R,4R,5SShow More⌵

Mol. Formula:
C32H58O17

M.W.:
714.80

Type:
---

AlogP:
-2.25

Polar Surface Area:
255.91

HBA:
17

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5094988

Name:

Mol. Formula:
C124H204N36O40S3

M.W.:
2935.41

2 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5094981

Name:

Mol. Formula:
C155H246N38O43S

M.W.:
3361.96

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5093511

Name:
(S)-2-(biphenyl-4-ylmethylamino)-N-((S)-1-(tert-butylamino)-3-(1H-indol-3-yShow More⌵

Mol. Formula:
C33H36N4O2

M.W.:
520.68

Type:
Unknown

AlogP:
4.96

Polar Surface Area:
86.02

HBA:
3

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5092252

Name:
(S)-2-(benzylamino)-N-((S)-1-(biphenyl-4-ylmethylamino)-3-(1H-indol-3-yl)-1Show More⌵

Mol. Formula:
C36H36N4O2

M.W.:
556.71

Type:
Unknown

AlogP:
5.91

Polar Surface Area:
86.02

HBA:
3

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5091761

Name:
Tert-butyl 2-((1-(tert-butylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbaShow More⌵

Mol. Formula:
C25H36N4O4

M.W.:
456.59

Type:
Unknown

AlogP:
3.51

Polar Surface Area:
103.53

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5088895

Name:

Mol. Formula:
C166H267N41O47

M.W.:
3589.20

6 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5087131

Name:
2-(biphenyl-4-ylmethylamino)-N-(1-(tert-butylamino)-3-(1H-indol-3-yl)-1-oxoShow More⌵

Mol. Formula:
C34H42N4O2

M.W.:
538.74

Type:
Unknown

AlogP:
5.98

Polar Surface Area:
86.02

HBA:
3

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5085757

Name:
(S)-2-(biphenyl-4-ylmethylamino)-N-((S)-1-(tert-butylamino)-3-(1H-indol-3-yShow More⌵

Mol. Formula:
C37H40N4O2

M.W.:
572.75

Type:
Unknown

AlogP:
6.18

Polar Surface Area:
86.02

HBA:
3

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5085069

Name:
(2R,5R,8R,11R,14R,17R,20R,23R,26R,29R,32R,35R,38R,41R,44R,47R,50R,53R,56R,5Show More⌵

Mol. Formula:
C156H244N40O44S

M.W.:
3415.97

6 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5080077

Name:
methyl 3-((benzyl(2-(biphenyl-4-yl)ethyl)amino)methyl)-1-isobutyl-1H-indoleShow More⌵

Mol. Formula:
C36H38N2O2

M.W.:
530.71

Type:
Unknown

AlogP:
8.00

Polar Surface Area:
34.47

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5079992

Name:
(2R,5R,8R,11R,14R,17R,20R,23R,26R,29R,32R,35R,38R,41R,44R,47R,50R,53R,56R,5Show More⌵

Mol. Formula:
C181H253N45O48S

M.W.:
3859.35

6 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5078219

Name:
(2R,5R,8R,11R,14R,17R,20R,23R,26R,29R,32R,35R,38R,41R,44R,47R,50R,53R,56R)-Show More⌵

Mol. Formula:
C139H192N34O38S

M.W.:
2979.33

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5077268

Name:
(S)-methyl 3-((N-benzyl-2-(tert-butoxycarbonylamino)pent-4-ynamido)methyl)-Show More⌵

Mol. Formula:
C29H33N3O5

M.W.:
503.60