Compounds

ALA5278067

Name:
(Z)-3-(5-methyl-2-((2-oxoindolin-3-ylidene)methyl)-1H-pyrrol-3-yl)propanoicShow More⌵

Mol. Formula:
C17H16N2O3

M.W.:
296.33

Type:
---

AlogP:
2.83

Polar Surface Area:
82.19

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4638815

Name:
3-(3-methoxybenzyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[2,3-d]pyrimidinShow More⌵

Mol. Formula:
C21H16N4O2S

M.W.:
388.45

11 activity values

7 unique targets

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
72.80

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4592007

Name:
3,3'-((3S,6S,12S,15S,18S,21S,26S)-18-(4-aminobutyl)-15-(carboxymethyl)-26-(Show More⌵

Mol. Formula:
C50H70N10O18

M.W.:
1099.16

5 activity values

3 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4585303

Name:
3,3'-((3S,6S,12S,15S,18S,21S,26S)-15-(carboxymethyl)-26-(3,4-dihydroxypheneShow More⌵

Mol. Formula:
C54H69N9O18

M.W.:
1132.19

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4468615

Name:
3,3'-((3S,6S,12S,15S,18S,21S,26S)-15-(carboxymethyl)-26-(3,4-dihydroxypheneShow More⌵

Mol. Formula:
C53H67N9O19

M.W.:
1134.16

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4443501

Name:
3,3'-((3S,6S,12S,14S,18S,21S,24S,29S)-18-(2-amino-2-oxoethyl)-14-(carboxymeShow More⌵

Mol. Formula:
C57H73N11O21

M.W.:
1248.27

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4287524

Name:
3-(benzo[d][1,3]dioxol-4-ylamino)-N-(4-fluorophenyl)thiophene-2-carboxamide

Mol. Formula:
C18H13FN2O3S

M.W.:
356.38

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
59.59

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4286029

Name:
3-(2,3-dihydrobenzo[b][1,4]dioxin-5-ylamino)-N-(4-fluorophenyl)thiophene-2-Show More⌵

Mol. Formula:
C19H15FN2O3S

M.W.:
370.41

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
59.59

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4101960

Name:
(3S,9S,12S,15S,18S,21S,24S)-24-amino-3-((S)-1-((S)-2-((2S,5S,8S,11S,14S,17SShow More⌵

Mol. Formula:
C91H149N25O25

M.W.:
1993.34

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4101023

Name:
(3S,6S,12S,15S,18S,24S)-3,15-bis((1H-imidazol-5-yl)methyl)-24-((S)-1-((S)-1Show More⌵

Mol. Formula:
C82H131N27O21S2

M.W.:
1895.25

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4100726

Name:
(2R,3S,6S,9S,12S,15S,18S,21S)-21-((2S,3S)-2-((S)-2-((S)-2-amino-3-hydroxyprShow More⌵

Mol. Formula:
C55H83N15O16

M.W.:
1210.36

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4098556

Name:
(S)-4-((6S,9S,12S,15S,18R,23R,26S,29S,32S,37aS,42aR)-29-((1H-imidazol-5-yl)Show More⌵

Mol. Formula:
C80H128N24O20S4

M.W.:
1874.32

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4098133

Name:
3,3',3''-((3S,6S,9S,12S,15S,18S,21R,26R,29S,32S,35S,38S,43aS)-21-((S)-6-amiShow More⌵

Mol. Formula:
C92H130N20O31S2

M.W.:
2076.30

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4092853

Name:
3-((3R,8R,11S,14S,17S,20S,23S,29S,32S,35S,38S,41S,44S,47S,52aS)-8-acetamidoShow More⌵

Mol. Formula:
C74H127N19O22S3

M.W.:
1731.14

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4090834

Name:
(2R,3S,6S,9S,12S,15S,18S,21S)-21-((2S,3S)-2-((S)-2-((S)-2-acetamido-3-hydroShow More⌵

Mol. Formula:
C57H85N15O17

M.W.:
1252.39

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4090414

Name:
3,3',3''-((3S,6S,9S,12S,15S,18S,21R,26R,29S,32S,35S,38S,43aS)-26-amino-32-(Show More⌵

Mol. Formula:
C80H113N17O25S2

M.W.:
1777.01

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4088656

Name:
(2S,5S,8S,11S,14S,17S,20S)-1-amino-11-(3-amino-3-oxopropyl)-20-((S)-2-((S)-Show More⌵

Mol. Formula:
C61H90N16O16S

M.W.:
1335.55

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4083044

Name:
(2S,5S,8S,14S,17S,20S)-14-((1H-indol-3-yl)methyl)-20-((S)-2-((S)-2-((S)-1-aShow More⌵

Mol. Formula:
C62H84N16O16

M.W.:
1309.45

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4082051

Name:
(S)-5-((S)-1-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-3-hydroxy-Show More⌵

Mol. Formula:
C86H136N28O22S4

M.W.:
2042.48

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4077694

Name:
(2S,5S,8S,11S,14S,17S,20S)-1-amino-20-((S)-1-((2S,5S,8S,11S,14S,15S)-14-amiShow More⌵

Mol. Formula:
C83H113N15O24

M.W.:
1704.90

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS