Compounds

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
63.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4292960

Name:
5-Chloro-3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2
Show More⌵

Mol. Formula:
C17H20ClNO2

M.W.:
305.80

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
64.25

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4292788

Name:
3-Chloro-4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]o
Show More⌵

Mol. Formula:
C18H23ClO3

M.W.:
322.83

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4292398

Name:
3-Chloro-6-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]o
Show More⌵

Mol. Formula:
C18H23ClO3

M.W.:
322.83

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4291644

Name:
3-Chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4
Show More⌵

Mol. Formula:
C18H22ClNO2

M.W.:
319.83

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
64.25

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4289387

Name:
5-Chloro-3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2
Show More⌵

Mol. Formula:
C17H21ClO2

M.W.:
292.81

Type:
Small molecule

AlogP:
5.09

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4285973

Name:
3-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-2,4-dihydr
Show More⌵

Mol. Formula:
C17H22O3

M.W.:
274.36

5 activity values

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4285614

Name:
2-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-4-formyl-3
Show More⌵

Mol. Formula:
C20H26O4

M.W.:
330.42

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
63.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4283459

Name:
2-Chloro-6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5
Show More⌵

Mol. Formula:
C20H27ClO3

M.W.:
350.89

Type:
Small molecule

AlogP:
5.82

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4282186

Name:
3-Chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4
Show More⌵

Mol. Formula:
C20H27ClO3

M.W.:
350.89

Type:
Small molecule

AlogP:
5.71

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4278723

Name:
3-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-2,4,6-trih
Show More⌵

Mol. Formula:
C17H22O4

M.W.:
290.36

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
77.76

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4277675

Name:
3-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-2,4-dihydr
Show More⌵

Mol. Formula:
C18H24O3

M.W.:
288.39

15 activity values

15 unique targets

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4277669

Name:
4-Chloro-2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-6
Show More⌵

Mol. Formula:
C17H22ClNO3

M.W.:
323.82

Type:
Small molecule

AlogP:
4.79

Polar Surface Area:
73.05

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4218963

Name:
(14-(4-(Ethoxycarbonyl)-3-hydroxy-5-methylphenoxy)
Show More⌵

Mol. Formula:
C40H50BrO4P

M.W.:
705.71

Type:
Small molecule

AlogP:
9.15

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4218451

Name:
(10-(4-carboxy-3-hydroxyphenoxy)decyl)triphenylpho
Show More⌵

Mol. Formula:
C35H40BrO4P

M.W.:
635.58

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
7.58

Polar Surface Area:
66.76

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4218131

Name:
(14-(4-carboxy-3-fluorophenoxy)tetradecyl)tripheny
Show More⌵

Mol. Formula:
C38H45BrFO3P

M.W.:
679.65

Type:
Small molecule

AlogP:
9.19

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4215836

Name:
(14-(3-Hydroxy-4-(methoxycarbonyl)phenoxy)tetradec
Show More⌵

Mol. Formula:
C39H48BrO4P

M.W.:
691.69

4 activity values

Type:
Small molecule

AlogP:
8.84

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4214550

Name:
(14-(4-(Methoxycarbonyl)-3-methylphenoxy)tetradecy
Show More⌵

Mol. Formula:
C40H50BrO3P

M.W.:
689.72

Type:
Small molecule

AlogP:
9.45

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4209637

Name:
(14-(3-Fluoro-4-(methoxycarbonyl)phenoxy)tetradecy
Show More⌵

Mol. Formula:
C39H47BrFO3P

M.W.:
693.68

Type:
Small molecule

AlogP:
9.28

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4206705

Name:
(14-(4-carboxy-3-hydroxyphenoxy)tetradecyl)triphen
Show More⌵

Mol. Formula:
C38H46BrO4P

M.W.:
677.66