Compounds

(+)-Dihydrocarvone

Name:
Dihydrocarvone

Mol. Formula:
C10H16O

M.W.:
152.24

32 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.57

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.53

DETAILS

ALA2268552

Name:
allo-Ocimene

Mol. Formula:
C10H16

M.W.:
136.24

32 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
0.00

HBA:
---

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

3,7-Dimethylocta-1,6-diene

Name:
beta-Citronellene

Mol. Formula:
C10H18

M.W.:
138.25

32 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
0.00

HBA:
---

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2268550

Name:
Camphene

Mol. Formula:
C10H16

M.W.:
136.24

49 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
0.00

HBA:
---

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.45

DETAILS

Neryl acetate

Name:
Neryl acetate

Mol. Formula:
C12H20O2

M.W.:
196.29

41 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

(+)-Limonene oxide, mixture of cis and trans

Name:
Limonene oxide

Mol. Formula:
C10H16O

M.W.:
152.24

34 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
12.53

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.42

DETAILS

ALA2106026

Name:
BORNYL ACETATE

Mol. Formula:
C12H20O2

M.W.:
196.29

43 activity values

11 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.60

DETAILS

ALA465188

Name:
3'-acetyltrachelanthamine

Mol. Formula:
C17H29NO5

M.W.:
327.42

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.35

Polar Surface Area:
76.07

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA506349

Name:
Megalanthonine

Mol. Formula:
C15H27NO5

M.W.:
301.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.25

Polar Surface Area:
90.23

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA464343

Name:
Viridoxin B

Mol. Formula:
C34H52O6

M.W.:
556.78

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.26

Polar Surface Area:
85.97

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA500179

Name:
Viridoxin A

Mol. Formula:
C35H54O6

M.W.:
570.81

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.92

Polar Surface Area:
74.97

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA459330

Name:
colletochin

Mol. Formula:
C28H42O4

M.W.:
442.64

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.30

Polar Surface Area:
59.67

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA458374

Name:
silphinene

Mol. Formula:
C15H24

M.W.:
204.36

6 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
0.00

HBA:
---

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA449167

Name:
Filifolinol

Mol. Formula:
C18H24O4

M.W.:
304.39

13 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA459238

Name:
methyl 3-(((1R,2R)-2-hydroxy-2,6,6-trimethyl-5-oxocyclohex-3-enyl)methyl)-4Show More⌵

Mol. Formula:
C19H24O5

M.W.:
332.40

10 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
72.83

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA459237

Name:
3-[rel-(8R,9R-9-hydroxy-9,13,13-trimethyl-12-oxo-10-cyclohexenyl)methyl]-4-Show More⌵

Mol. Formula:
C18H22O5

M.W.:
318.37

10 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
83.83

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS