Compounds

ALA4457513

Name:
(4-((2-((7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)benzamido)methyl)phenylShow More⌵

Mol. Formula:
C20H16BN5O6

M.W.:
433.19

7 activity values

4 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA476857

Name:
(+/-)-6a,12a-Dihydro-6H-5,8,10,12-tetraoxa-benzo[a]cyclopenta[h]fluorene-3,Show More⌵

Mol. Formula:
C16H10O6

M.W.:
298.25

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.25

Polar Surface Area:
71.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA444696

Name:
S-Allylthio-6-mercaptopurine

Mol. Formula:
C8H8N4S2

M.W.:
224.31

25 activity values

10 unique targets

Type:
Small molecule

AlogP:
2.28

Polar Surface Area:
54.46

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA516889

Name:
2-(6-Allyldisulfanyl-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol)

Mol. Formula:
C13H16N4O4S2

M.W.:
356.43

14 activity values

9 unique targets

Type:
Small molecule

AlogP:
0.36

Polar Surface Area:
113.52

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA121346

Name:
3-[(R)-4-[2-Benzyloxy-eth-(E)-ylidene]-3-(tert-butyl-dimethyl-silanyloxy)-tShow More⌵

Mol. Formula:
C24H38O6Si

M.W.:
450.65

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA332207

Name:
(R)-8-[2-Benzyloxy-eth-(E)-ylidene]-4-hydroxy-hexahydro-pyrano[3,2-b]pyran-Show More⌵

Mol. Formula:
C17H20O5

M.W.:
304.34

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.59

Polar Surface Area:
64.99

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA120892

Name:
(E)-3-[(2R,3S)-4-[2-Benzyloxy-eth-(E)-ylidene]-3-(tert-butyl-dimethyl-silanShow More⌵

Mol. Formula:
C25H38O5Si

M.W.:
446.66

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA333926

Name:
(2E,4E)-5-{(2R,3S)-3-(tert-Butyl-dimethyl-silanyloxy)-4-[1-ethoxycarbonyl-mShow More⌵

Mol. Formula:
C22H36O6Si

M.W.:
424.61

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA121594

Name:
(E)-3-{(2R,3S)-3-(tert-Butyl-dimethyl-silanyloxy)-4-[1-ethoxycarbonyl-meth-Show More⌵

Mol. Formula:
C20H34O6Si

M.W.:
398.57

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS