Compounds

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4648984

Name:
Xylarinorditerpene C

Mol. Formula:
C19H30O2

M.W.:
290.45

Type:
Unknown

AlogP:
3.94

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4648909

Name:
Xylarinorditerpene Q

Mol. Formula:
C18H30O2

M.W.:
278.44

Type:
Unknown

AlogP:
3.67

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4646180

Name:
Xylarinorditerpene J

Mol. Formula:
C19H32O2

M.W.:
292.46

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4645969

Name:
Xylarinorditerpene R

Mol. Formula:
C18H28O2

M.W.:
276.42

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4645074

Name:
Xylarinorditerpene L

Mol. Formula:
C19H32O3

M.W.:
308.46

Type:
Unknown

AlogP:
3.03

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4644385

Name:
Xylarinorditerpene E

Mol. Formula:
C19H30O3

M.W.:
306.45

Type:
Unknown

AlogP:
3.05

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4644204

Name:
Xylarinorditerpene N

Mol. Formula:
C19H30O3

M.W.:
306.45

Type:
Unknown

AlogP:
3.05

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4642669

Name:
Xylarinorditerpene H

Mol. Formula:
C19H30O3

M.W.:
306.45

Type:
Unknown

AlogP:
3.05

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4642298

Name:
Xylarinorditerpene M

Mol. Formula:
C19H30O3

M.W.:
306.45

Type:
Unknown

AlogP:
3.05

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4642124

Name:
Tremutin A

Mol. Formula:
C15H18O3

M.W.:
246.31

7 activity values

7 unique targets

Type:
Unknown

AlogP:
2.12

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.71

DETAILS

ALA4640198

Name:
Xylarinorditerpene D

Mol. Formula:
C19H30O2

M.W.:
290.45

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4640087

Name:
Xylarinorditerpene F

Mol. Formula:
C19H30O3

M.W.:
306.45

Type:
Unknown

AlogP:
3.05

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4639629

Name:
14alpha,16-epoxy-18-norisopimar-7-en-4alpha-ol

Mol. Formula:
C19H30O2

M.W.:
290.45

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4638995

Name:
Xylarinorditerpene B

Mol. Formula:
C19H30O3

M.W.:
306.45

Type:
Unknown

AlogP:
3.05

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4636950

Name:
Xylarinorditerpene A

Mol. Formula:
C20H32O2

M.W.:
304.47

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4635416

Name:
Xylarinorditerpene I

Mol. Formula:
C19H32O2

M.W.:
292.46

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4635314

Name:
Xylarinorditerpene P

Mol. Formula:
C19H30O3

M.W.:
306.45

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4634337

Name:
Xylarinorditerpene G

Mol. Formula:
C19H30O3

M.W.:
306.45