Compounds

ALA4593222

Name:
rac-N-(3,5-Dichlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyriShow More⌵

Mol. Formula:
C21H18Cl2N2O2S

M.W.:
433.36

10 activity values

8 unique targets

Type:
Unknown

AlogP:
6.24

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4471621

Name:
(4S)-(+)-N-(3,5-Dichlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-cShow More⌵

Mol. Formula:
C21H18Cl2N2O2S

M.W.:
433.36

5 activity values

5 unique targets

Type:
Unknown

AlogP:
6.24

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3809644

Name:
2-cyclopropyl-N-(5-((1S,3S)-3-hydroxycyclohexylcarbamoyl)-2-(4-o-tolylpiperShow More⌵

Mol. Formula:
C31H37N5O4

M.W.:
543.67

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.47

Polar Surface Area:
110.94

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3808949

Name:
N-(5-(3-(3-allylureido)propylcarbamoyl)-2-(4-o-tolylpiperazin-1-yl)phenyl)fShow More⌵

Mol. Formula:
C30H36N6O4

M.W.:
544.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
118.95

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3809148

Name:
3-(4-fluorobenzamido)-N-(3-(2-oxopyrrolidin-1-yl)propyl)-4-(4-o-tolylpiperaShow More⌵

Mol. Formula:
C32H36FN5O3

M.W.:
557.67

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
84.99

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3263693

Name:
2-cyclopropyl-N-(5-((3-(2-oxopyrrolidin-1-yl)propylamino)methyl)-2-(4-o-tolShow More⌵

Mol. Formula:
C32H40N6O3

M.W.:
556.71

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
93.95

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3263692

Name:
2-cyclopropyl-N-(5-((1R,2S,3R)-2,3-dihydroxycyclohexylcarbamoyl)-2-(4-o-tolShow More⌵

Mol. Formula:
C31H37N5O5

M.W.:
559.67

10 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
131.17

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3263691

Name:
N-(5-(3-(2H-tetrazol-5-yl)propylcarbamoyl)-2-(4-o-tolylpiperazin-1-yl)phenyShow More⌵

Mol. Formula:
C29H33N9O3

M.W.:
555.64

13 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
145.17

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3263690

Name:
N-(5-(3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl)-2-(4-o-tolylpiperazin-1-Show More⌵

Mol. Formula:
C30H33N5O5

M.W.:
543.62

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
115.20

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3263689

Name:
N-(5-(3-(2-oxooxazolidin-3-yl)propylcarbamoyl)-2-(4-o-tolylpiperazin-1-yl)pShow More⌵

Mol. Formula:
C29H33N5O5

M.W.:
531.61

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
107.36

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3263688

Name:
2-cyclopropyl-N-(5-(3-(pyridin-4-yl)propylcarbamoyl)-2-(4-o-tolylpiperazin-Show More⌵

Mol. Formula:
C33H36N6O3

M.W.:
564.69

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.20

Polar Surface Area:
103.60

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3263687

Name:
N-(5-(3-(tetrahydrofuran-3-yl)propylcarbamoyl)-2-(4-o-tolylpiperazin-1-yl)pShow More⌵

Mol. Formula:
C30H36N4O4

M.W.:
516.64

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
87.05

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3263686

Name:
N-(5-(2-cyclopentylethylcarbamoyl)-2-(4-o-tolylpiperazin-1-yl)phenyl)furan-Show More⌵

Mol. Formula:
C30H36N4O3

M.W.:
500.64

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
77.82

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3263685

Name:
N-(5-(3-carbamoylbenzylcarbamoyl)-2-(4-o-tolylpiperazin-1-yl)phenyl)furan-2Show More⌵

Mol. Formula:
C31H31N5O4

M.W.:
537.62

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
120.91

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3263684

Name:
N-(5-(2-aminoethylcarbamoyl)-2-(4-o-tolylpiperazin-1-yl)phenyl)furan-2-carbShow More⌵

Mol. Formula:
C25H29N5O3

M.W.:
447.54

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
103.84

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3263683

Name:
N-(5-(2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl)-2-(4-o-tolylpiperazin-1-yl)phShow More⌵

Mol. Formula:
C29H33N5O4

M.W.:
515.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
98.13

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3263682

Name:
N-(5-(4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl)-2-(4-o-tolylpiperazin-Show More⌵

Mol. Formula:
C32H37N5O4

M.W.:
555.68

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
89.34

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3263681

Name:
2-cyclopropyl-N-(2-(3-methyl-4-o-tolylpiperazin-1-yl)-5-(3-(2-oxopyrrolidinShow More⌵

Mol. Formula:
C33H40N6O4

M.W.:
584.72

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
111.02

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3263680

Name:
N-(5-(3-(2-oxopyrrolidin-1-yl)propylcarbamoyl)-2-(4-o-tolylpiperidin-1-yl)pShow More⌵

Mol. Formula:
C31H36N4O4

M.W.:
528.65

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
94.89

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3263679

Name:
N-(5-(3-(2-oxopyrrolidin-1-yl)propylcarbamoyl)-2-(piperazin-1-yl)phenyl)furShow More⌵

Mol. Formula:
C23H29N5O4

M.W.:
439.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.68

Polar Surface Area:
106.92

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS