Compounds

ALA4573589

Name:
3-Butyryl-1-(4-cyanophenyl)-3-methyltriazene

Mol. Formula:
C12H14N4O

M.W.:
230.27

10 activity values

4 unique targets

Type:
Unknown

AlogP:
2.82

Polar Surface Area:
68.82

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4562814

Name:
1-(4-bromophenyl)-3-methyl-[2-(propyl)pentanoyl]triazene

Mol. Formula:
C15H22BrN3O

M.W.:
340.27

7 activity values

4 unique targets

Type:
Unknown

AlogP:
5.12

Polar Surface Area:
45.03

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4554147

Name:
1-(4-cyanophenyl)-3-methyl-3-[2-(propyl)pentanoyl]triazene

Mol. Formula:
C16H22N4O

M.W.:
286.38

18 activity values

6 unique targets

Type:
Unknown

AlogP:
4.23

Polar Surface Area:
68.82

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4553419

Name:
1-(4-ethoxycarbonylphenyl)-3-methyl-3-[2-(propyl)pentanoyl]triazene

Mol. Formula:
C18H27N3O3

M.W.:
333.43

9 activity values

4 unique targets

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
71.33

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4528002

Name:
1-(4-chlorophenyl)-3-methyl-3-[2-(propyl)pentanoyl]triazene

Mol. Formula:
C15H22ClN3O

M.W.:
295.81

7 activity values

4 unique targets

Type:
Unknown

AlogP:
5.01

Polar Surface Area:
45.03

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4473185

Name:
1-(4-cyanophenyl)-3-[2-(ethyl)butyryl]-3-methyltriazene

Mol. Formula:
C14H18N4O

M.W.:
258.32

8 activity values

4 unique targets

Type:
Unknown

AlogP:
3.45

Polar Surface Area:
68.82

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4461278

Name:
1-(4-carbamoylphenyl)-3-methyl-3-[2-(propyl)pentanoyl]triazene

Mol. Formula:
C16H24N4O2

M.W.:
304.39

17 activity values

5 unique targets

Type:
Unknown

AlogP:
3.46

Polar Surface Area:
88.12

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4459063

Name:
1-(4-cyanophenyl)-3-isobutyryl-3-methyltriazene

Mol. Formula:
C12H14N4O

M.W.:
230.27

8 activity values

4 unique targets

Type:
Unknown

AlogP:
2.67

Polar Surface Area:
68.82

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4443999

Name:
1-(4-acetylphenyl)-3-methyl-3-[2-(propyl)pentanoyl]triazene

Mol. Formula:
C17H25N3O2

M.W.:
303.41

7 activity values

4 unique targets

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
62.10

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4438640

Name:
1-(4-methoxycarbonylphenyl)-3-methyl-3-[2-(propyl)pentanoyl]triazene

Mol. Formula:
C17H25N3O3

M.W.:
319.41

15 activity values

5 unique targets

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
71.33

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4436838

Name:
3-Methyl-3-[2-(propyl)pentanoyl]-1-(4-tolyl)triazene

Mol. Formula:
C16H25N3O

M.W.:
275.40

7 activity values

4 unique targets

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
45.03

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS