Compounds

ALA4251371

Name:
(4aR,6R,6aS,9S,11S,11aS,11bS,12S,14R)-12-(2-Azidoethoxy)-11,14-dihydroxy-4,Show More⌵

Mol. Formula:
C22H31N3O5

M.W.:
417.51

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
124.75

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4249965

Name:
(4aR,6R,6aS,9S,11S,11aS,11bS,12S,14R)-11,14-Dihydroxy-4,4-dimethyl-8-methylShow More⌵

Mol. Formula:
C31H39N3O5

M.W.:
533.67

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
106.70

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4247084

Name:
Jiyuan Oridonin A

Mol. Formula:
C20H28O5

M.W.:
348.44

18 activity values

11 unique targets

Type:
Small molecule

AlogP:
1.40

Polar Surface Area:
86.99

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4245714

Name:
(4aR,6R,6aS,9S,11S,11aS,11bS,12S,14R)-12-(2-(4-Cyclopropyl-1H-1,2,3-triazolShow More⌵

Mol. Formula:
C28H39N3O5

M.W.:
497.64

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
106.70

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

3-(Morpholine-4-sulfonyl)-benzoic acid hydrazide

Name:
3-(morpholinosulfonyl)benzohydrazide

Mol. Formula:
C11H15N3O4S

M.W.:
285.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.69

Polar Surface Area:
101.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4095889

Name:
3-(4-((4-methylbenzyl)amino)-1-oxoisoindolin-2-yl)piperidine-2,6-dione

Mol. Formula:
C21H21N3O3

M.W.:
363.42

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
78.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4095799

Name:
9-(3-Bromo-4-methoxy-phenyl)-5,9-dihydro-1,3-dioxa-8-thia-5-aza-cyclo-heptaShow More⌵

Mol. Formula:
C17H14BrNO4S

M.W.:
408.27

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
56.79

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4088165

Name:
N-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)-4-methylbenzenesulfonaShow More⌵

Mol. Formula:
C20H19N3O5S

M.W.:
413.46

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.56

Polar Surface Area:
112.65

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4066886

Name:
N-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)-4-methylbenzamide

Mol. Formula:
C21H19N3O4

M.W.:
377.40

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.01

Polar Surface Area:
95.58

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA507559

Name:
KAQIRAMECNILGRKKRRQRRR

Mol. Formula:
C113H211N49O28S2

M.W.:
2768.38

10 activity values

4 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS