Compounds

ALA2436599

Name:
Viteagnusin I

Mol. Formula:
C22H34O6

M.W.:
394.51

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
93.06

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2391699

Name:
Previtexilactone

Mol. Formula:
C22H34O5

M.W.:
378.51

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2391697

Name:
Rotundifuran

Mol. Formula:
C22H34O4

M.W.:
362.51

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
59.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2391696

Name:
(rel-8R,9R,10S,13S)-9,13-epoxylabda-5-en-15,16-olide

Mol. Formula:
C20H30O3

M.W.:
318.46

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2391695

Name:
(rel-5S,6R,8R,9R,10S,13S)-6-hydroxy-9,13-epoxylabda-15,16-olide

Mol. Formula:
C20H32O4

M.W.:
336.47

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.45

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2391694

Name:
(rel-8R)-9-oxo-9,10-seco-labda-5(10),13-dien-15,16-olide

Mol. Formula:
C20H30O3

M.W.:
318.46

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2391693

Name:
(rel-8R,9R,10S)-9-hydroxylabda-5,13-dien-15,16-olide

Mol. Formula:
C20H30O3

M.W.:
318.46

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2391692

Name:
(rel-5S,6R,10S)-6-acetoxylabda-8,13-dien-15,16-olide

Mol. Formula:
C22H32O4

M.W.:
360.49

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2391538

Name:
Vitextrifolin B

Mol. Formula:
C24H40O6

M.W.:
424.58

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.44

Polar Surface Area:
63.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2391537

Name:
(rel-3S,5S,8R,9R,10S,13S,15S,16R)-3-acetoxy-9,13:15,16-diepoxy-15,16-dimethShow More⌵

Mol. Formula:
C24H40O6

M.W.:
424.58

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.44

Polar Surface Area:
63.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS