Compounds

Type:
Small molecule

AlogP:
5.14

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2051965

Name:
3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acShow More⌵

Mol. Formula:
C20H28O2

M.W.:
305.47

Type:
Small molecule

AlogP:
5.60

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA346599

Name:
Triphenyl-(2,6,6-trimethyl-cyclohex-1-enylmethyl)-phosphonium bromide

Mol. Formula:
C28H32BrP

M.W.:
479.44

Type:
Small molecule

AlogP:
6.51

Polar Surface Area:
0.00

HBA:
---

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA154965

Name:
2-[4-Methyl-6-(2,6,6-trimethyl-cyclohex-1-enyl)-hexa-1,3,5-trienyl]-phenol

Mol. Formula:
C22H28O

M.W.:
308.46

Type:
Small molecule

AlogP:
6.43

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA154830

Name:
2-[4-Methyl-6-(2,6,6-trimethyl-cyclohex-1-enyl)-hexa-1,3,5-trienyl]-benzoicShow More⌵

Mol. Formula:
C23H28O2

M.W.:
336.48

Type:
Small molecule

AlogP:
6.43

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA154770

Name:
2-[4-Methyl-6-(2,6,6-trimethyl-cyclohex-1-enyl)-hexa-1,3,5-trienyl]-phenol

Mol. Formula:
C22H28O

M.W.:
308.46

Type:
Small molecule

AlogP:
6.43

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA347691

Name:
2-Methyl-4-[2-methyl-4-(2,6,6-trimethyl-cyclohex-1-enyl)-buta-1,3-dienyl]-bShow More⌵

Mol. Formula:
C24H32O2

M.W.:
352.52

Type:
Small molecule

AlogP:
6.66

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA264583

Name:
Tetradecanoic acid 9a-acetoxy-4a,7b,9-trihydroxy-3-hydroxymethyl-1,6,8-trimShow More⌵

Mol. Formula:
C56H76O11S

M.W.:
957.28

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA345084

Name:
4-[3,3,3-Trifluoro-2-(2,2,4,4-tetramethyl-thiochroman-6-yl)-propenyl]-benzoShow More⌵

Mol. Formula:
C24H25F3O2S

M.W.:
434.52

Type:
Small molecule

AlogP:
7.13

Polar Surface Area:
26.30

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA140137

Name:
4-[2-(2,2,4,4-Tetramethyl-thiochroman-6-yl)-propenyl]-benzoic acid

Mol. Formula:
C23H26O2S

M.W.:
366.53

Type:
Small molecule

AlogP:
6.50

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA342369

Name:
3-Methyl-7-(2,2,4,4-tetramethyl-thiochroman-6-yl)-octa-2,4,6-trienoic acid

Mol. Formula:
C22H28O2S

M.W.:
356.53

Type:
Small molecule

AlogP:
6.23

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA137685

Name:
4-[3,3,3-Trifluoro-2-(2,2,4,4-tetramethyl-thiochroman-6-yl)-propenyl]-benzoShow More⌵

Mol. Formula:
C23H23F3O2S

M.W.:
420.50

Type:
Small molecule

AlogP:
7.04

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA136050

Name:
4-[2-(4,4-Dimethyl-thiochroman-6-yl)-3,3,3-trifluoro-propenyl]-benzoic acid

Mol. Formula:
C21H19F3O2S

M.W.:
392.44

Type:
Small molecule

AlogP:
6.26

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA266344

Name:
Tetradecanoic acid 9a-acetoxy-4a,7b,9-trihydroxy-3-hydroxymethyl-1,6,8-trimShow More⌵

Mol. Formula:
C59H90O12

M.W.:
991.36

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA386024

Name:
Tetradecanoic acid 9a-acetoxy-4a,7b,9-trihydroxy-3-hydroxymethyl-1,6,8-trimShow More⌵

Mol. Formula:
C57H78O11S

M.W.:
971.31

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA137062

Name:
4-[2-(4,4-Dimethyl-chroman-6-yl)-3,3,3-trifluoro-propenyl]-benzoic acid metShow More⌵

Mol. Formula:
C22H21F3O3

M.W.:
390.40

Type:
Small molecule

AlogP:
5.64

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA136938

Name:
4-[2-(4,4-Dimethyl-thiochroman-6-yl)-3,3,3-trifluoro-propenyl]-benzoic acidShow More⌵

Mol. Formula:
C22H21F3O2S

M.W.:
406.47

Type:
Small molecule

AlogP:
6.35

Polar Surface Area:
26.30

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA136410

Name:
4-[2-(4,4-Dimethyl-chroman-6-yl)-3,3,3-trifluoro-propenyl]-benzoic acid

Mol. Formula:
C21H19F3O3

M.W.:
376.37

Type:
Small molecule

AlogP:
5.55

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA105446

Name:
(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,4,4,6,6-pentamethyl-3-oxo-cyclohex-1-enyl)-Show More⌵

Mol. Formula:
C23H32O3

M.W.:
356.51

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA321361

Name:
(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,4,6,6-tetramethyl-3-oxo-cyclohex-1-enyl)-noShow More⌵

Mol. Formula:
C22H30O3

M.W.:
342.48