Compounds

ALA4554286

Name:
N-((4-Butyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(6Show More⌵

Mol. Formula:
C34H45N7O2

M.W.:
583.78

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.48

Polar Surface Area:
99.15

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4544978

Name:
N-((4-Ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(6Show More⌵

Mol. Formula:
C32H41N7O2

M.W.:
555.73

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
99.15

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4532174

Name:
N-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(6-(4-Show More⌵

Mol. Formula:
C31H39N7O2

M.W.:
541.70

19 activity values

8 unique targets

Type:
Unknown

AlogP:
4.44

Polar Surface Area:
99.15

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3933203

Name:
6-cyano-1-cyclopentyl-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methylShow More⌵

Mol. Formula:
C24H28N4O2

M.W.:
404.51

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
88.99

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3923183

Name:
1-cyclopentyl-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methShow More⌵

Mol. Formula:
C34H42N4O3

M.W.:
554.74

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.29

Polar Surface Area:
77.67

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3909213

Name:
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-6-(2-(piperShow More⌵

Mol. Formula:
C31H39N7O3

M.W.:
557.70

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
115.48

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3906288

Name:
6-cyano-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-Show More⌵

Mol. Formula:
C22H26N4O2

M.W.:
378.48

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
88.99

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3905192

Name:
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-3-methylShow More⌵

Mol. Formula:
C32H40N4O3

M.W.:
528.70

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
77.67

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3901570

Name:
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-3-methylShow More⌵

Mol. Formula:
C30H38N6O2

M.W.:
514.67

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
93.36

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3900506

Name:
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-6-(6-(piperShow More⌵

Mol. Formula:
C32H40N6O3

M.W.:
556.71

12 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
102.59

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3898133

Name:
1-cyclopentyl-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methShow More⌵

Mol. Formula:
C32H40N6O2

M.W.:
540.71

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
93.36

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3896239

Name:
1-(cyclopropylmethyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methylShow More⌵

Mol. Formula:
C33H40N4O3

M.W.:
540.71

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
77.67

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3892623

Name:
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-6-(4-(morphShow More⌵

Mol. Formula:
C34H42N4O4

M.W.:
570.73

11 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
86.90

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS