Compounds

ALA4879162

Name:
(2S,3S,E)-2-aminoheptadec-4-en-3-ol

Mol. Formula:
C17H35NO

M.W.:
269.47

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4878628

Name:
N-((2R,3S)-3-hydroxyheptadecan-2-yl)octanamide

Mol. Formula:
C25H51NO2

M.W.:
397.69

2 activity values

2 unique targets

Type:
Unknown

AlogP:
7.30

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4877856

Name:
2-bromo-N-((2S,3S)-3-hydroxyheptadecan-2-yl)acetamide

Mol. Formula:
C19H38BrNO2

M.W.:
392.42

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.34

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4877374

Name:
N-((2R,3S,E)-3-hydroxyheptadec-4-en-2-yl)pivalamide

Mol. Formula:
C22H43NO2

M.W.:
353.59

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.77

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4876896

Name:
4-heptyl-N-((2R,3S,E)-3-hydroxyheptadec-4-en-2-yl)benzamide

Mol. Formula:
C31H53NO2

M.W.:
471.77

2 activity values

2 unique targets

Type:
Unknown

AlogP:
8.55

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4875697

Name:
4-heptyl-N-((2S,3R,E)-3-hydroxyheptadec-4-en-2-yl)benzamide

Mol. Formula:
C31H53NO2

M.W.:
471.77

2 activity values

2 unique targets

Type:
Unknown

AlogP:
8.55

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4874738

Name:
N-((2S,3R,E)-3-hydroxyheptadec-4-en-2-yl)pivalamide

Mol. Formula:
C22H43NO2

M.W.:
353.59

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.77

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4874313

Name:
N-((2R,3S)-3-hydroxyheptadecan-2-yl)pivalamide

Mol. Formula:
C22H45NO2

M.W.:
355.61

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.99

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4872126

Name:
N-((2R,3R)-3-hydroxyheptadecan-2-yl)pivalamide

Mol. Formula:
C22H45NO2

M.W.:
355.61

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.99

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4871487

Name:
N-((2S,3R)-3-hydroxyheptadecan-2-yl)octanamide

Mol. Formula:
C25H51NO2

M.W.:
397.69

2 activity values

2 unique targets

Type:
Unknown

AlogP:
7.30

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4871300

Name:
(2R,3S,E)-2-aminoheptadec-4-en-3-ol

Mol. Formula:
C17H35NO

M.W.:
269.47

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4869474

Name:
N-((2R,3R)-3-hydroxyheptadecan-2-yl)octanamide

Mol. Formula:
C25H51NO2

M.W.:
397.69

2 activity values

2 unique targets

Type:
Unknown

AlogP:
7.30

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4868147

Name:
(2S,3R,E)-2-aminoheptadec-4-en-3-ol

Mol. Formula:
C17H35NO

M.W.:
269.47

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4867796

Name:
4-heptyl-N-((2R,3S)-3-hydroxyheptadecan-2-yl)benzamide

Mol. Formula:
C31H55NO2

M.W.:
473.79

2 activity values

2 unique targets

Type:
Unknown

AlogP:
8.77

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4866357

Name:
N-((2S,3R,E)-3-hydroxyheptadec-4-en-2-yl)octanamide

Mol. Formula:
C25H49NO2

M.W.:
395.67

2 activity values

2 unique targets

Type:
Unknown

AlogP:
7.08

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4865430

Name:
N-((2S,3S,E)-3-hydroxyheptadec-4-en-2-yl)pivalamide

Mol. Formula:
C22H43NO2

M.W.:
353.59

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.77

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4865021

Name:
N-((2R,3R,E)-3-hydroxyheptadec-4-en-2-yl)pivalamide

Mol. Formula:
C22H43NO2

M.W.:
353.59

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.77

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4862842

Name:
N-((2S,3S,E)-3-hydroxyheptadec-4-en-2-yl)octanamide

Mol. Formula:
C25H49NO2

M.W.:
395.67

2 activity values

2 unique targets

Type:
Unknown

AlogP:
7.08

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4862600

Name:
2-bromo-N-((2R,3R,E)-3-hydroxyheptadec-4-en-2-yl)acetamide

Mol. Formula:
C19H36BrNO2

M.W.:
390.41

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.11

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4862364

Name:
4-heptyl-N-((2S,3R)-3-hydroxyheptadecan-2-yl)benzamide

Mol. Formula:
C31H55NO2

M.W.:
473.79

2 activity values

2 unique targets

Type:
Unknown

AlogP:
8.77

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.17

DETAILS