Compounds

ALA5269430

Name:
3-(4-(2-(4-(5-formyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl)-5-(4-((E)-3-(hexadShow More⌵

Mol. Formula:
C47H57N5O4

M.W.:
756.00

Type:
---

AlogP:
10.38

Polar Surface Area:
136.54

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA3349526

Name:
(S)-4-Methylcarbamoyl-4-[2-((S)-2-tetradecyl-hexadecanoylamino)-3-(3,4,5-trShow More⌵

Mol. Formula:
C45H85N3O10

M.W.:
828.19

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
7.21

Polar Surface Area:
203.75

HBA:
9

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
37

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA3215369

Name:
(2S,3R,4E)-2-(Hexadecanoylamino)-3-hydroxy-1-[[2-O-(sodium oxysulfonyl)-betShow More⌵

Mol. Formula:
C40H76NNaO11S

M.W.:
802.10

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.21

Polar Surface Area:
192.08

HBA:
10

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
35

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA3215368

Name:
(2S,3R,4E)-3-Hydroxy-2-(hexadecanoylamino)-1-[[4,6-bis-O-(sodium oxysulfonyShow More⌵

Mol. Formula:
C40H75NNa2O14S2

M.W.:
904.15

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.04

Polar Surface Area:
235.45

HBA:
12

HBD:
6

#RO5 Violations:
4

#Rotatable Bonds:
37

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA3215367

Name:
(2S,3R,4E)-2-(Hexadecanoylamino)-3-hydroxy-1-[[4-O-(sodium oxysulfonyl)-betShow More⌵

Mol. Formula:
C40H76NNaO11S

M.W.:
802.10

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.21

Polar Surface Area:
192.08

HBA:
10

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
35

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA3215366

Name:
(2S,3R,4E)-2-(Hexadecanoylamino)-3-hydroxy-1-[[3-O-(sodium oxysulfonyl)-betShow More⌵

Mol. Formula:
C40H76NNaO11S

M.W.:
802.10

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.21

Polar Surface Area:
192.08

HBA:
10

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
35

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA3215365

Name:
(2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-[[2,3-di-O-benzoyl-4,6-biShow More⌵

Mol. Formula:
C61H93NNa2O14S2

M.W.:
1174.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3215364

Name:
(2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-[[2,3-bis-O-(sodium oxysuShow More⌵

Mol. Formula:
C54H85NNa2O14S2

M.W.:
1082.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3215363

Name:
(2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-[[2,3-bis-O-(sodium oxysuShow More⌵

Mol. Formula:
C47H81NNa2O14S2

M.W.:
994.27

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
9.27

Polar Surface Area:
224.45

HBA:
12

HBD:
5

#RO5 Violations:
3

#Rotatable Bonds:
40

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA3215362

Name:
(2S,3R,4E)-2-(Hexadecanoylamino)-3-hydroxy-1-[[2,6-bis-O-(sodium oxysulfonyShow More⌵

Mol. Formula:
C40H75NNa2O14S2

M.W.:
904.15

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.04

Polar Surface Area:
235.45

HBA:
12

HBD:
6

#RO5 Violations:
4

#Rotatable Bonds:
37

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA3215361

Name:
(2S,3R,4E)-3-Hydroxy-2-(hexadecanoylamino)-1-[[3,6-bis-O-(sodium oxysulfonyShow More⌵

Mol. Formula:
C40H75NNa2O14S2

M.W.:
904.15

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.04

Polar Surface Area:
235.45

HBA:
12

HBD:
6

#RO5 Violations:
4

#Rotatable Bonds:
37

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA3215360

Name:
(2S,3R,4E)-2-(Hexadecanoylamino)-1-[[6-O-(sodium oxysulfonyl)beta-D-galactoShow More⌵

Mol. Formula:
C40H76NNaO11S

M.W.:
802.10

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.21

Polar Surface Area:
192.08

HBA:
10

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
35

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA3215359

Name:
(2S,3R,4E)-2-(hexadecanoylamino)-3-(benzoyloxy)-1-[[6-O-(sodium oxysulfonylShow More⌵

Mol. Formula:
C47H82NNaO11S

M.W.:
892.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
9.44

Polar Surface Area:
181.08

HBA:
10

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
38

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA3215358

Name:
(2S,3R,4E)-2-(hexadecanoylamino)-3-(benzoyloxy)-1-[[2,6-di-O-benzoyl-4-O-acShow More⌵

Mol. Formula:
C63H96NNaO12S

M.W.:
1114.51

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3215357

Name:
(2S,3R,4E)-2-(Hexadecanoylamino)-3-(benzoyloxy)-1-[[2,6-bis-O-(sodium oxysuShow More⌵

Mol. Formula:
C47H81NNa2O14S2

M.W.:
994.27

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
9.27

Polar Surface Area:
224.45

HBA:
12

HBD:
5

#RO5 Violations:
3

#Rotatable Bonds:
40

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA3215356

Name:
(2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-[[2-O-benzoyl-4-O-acetyl-Show More⌵

Mol. Formula:
C56H89NNa2O15S2

M.W.:
1126.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3215326

Name:
(5R,9S,13S,14R)-5,9,13-trimethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxaShow More⌵

Mol. Formula:
C26H42O8

M.W.:
482.61

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.06

Polar Surface Area:
136.68

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3215325

Name:
(5R,9S,13S,14S)-13-hydroxy-5,9-dimethyl-14-{[3,4,5-trihydroxy-6-(hydroxymetShow More⌵

Mol. Formula:
C25H40O9

M.W.:
484.59

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.78

Polar Surface Area:
156.91

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3215297

Name:
(2S,3R,4E)-3-Hydroxy-2-(hexadecanoylamino)-1-[[2,3-bis-O-(sodium oxysulfonyShow More⌵

Mol. Formula:
C40H75NNa2O14S2

M.W.:
904.15

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.04

Polar Surface Area:
235.45

HBA:
12

HBD:
6

#RO5 Violations:
4

#Rotatable Bonds:
37

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA2303775

Name:
{2-[6-(Pentacosa-10,12-diynoic acid [2-(3-acetylamino-propylsulfanyl)-ethylShow More⌵

Mol. Formula:
C52H88N2O18S

M.W.:
1061.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS