Compounds

Type:
Unknown

AlogP:
0.98

Polar Surface Area:
55.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.57

DETAILS

SSR411298

Name:
2-amino-2-oxoethyl 3-((2r,5r)-5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl)Show More⌵

Mol. Formula:
C21H26N2O6

M.W.:
402.45

4 activity values

2 unique targets

Type:
Unknown

AlogP:
2.30

Polar Surface Area:
109.11

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4565200

Name:
3-(3-Carbamoyl-5-methylthiophen-2-yl)phenyl (2-(4-phenylpiperazin-1-yl)ethyShow More⌵

Mol. Formula:
C25H28N4O3S

M.W.:
464.59

Type:
Unknown

AlogP:
3.73

Polar Surface Area:
87.90

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4554053

Name:
3-(3-Carbamoyl-1H-pyrrol-1-yl)phenyl (3-(4-phenylpiperazin-1-yl)propyl)carbShow More⌵

Mol. Formula:
C25H29N5O3

M.W.:
447.54

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
92.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4540218

Name:
3-(3-Carbamoyl-5-methylfuran-2-yl)phenyl (3-(4-phenylpiperazin-1-yl)propyl)Show More⌵

Mol. Formula:
C26H30N4O4

M.W.:
462.55

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
101.04

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4520982

Name:
3-(3-Carbamoyl-1,5-dimethyl-1H-pyrrol-2-yl)phenyl (2-(4-phenylpiperazin-1-yShow More⌵

Mol. Formula:
C26H31N5O3

M.W.:
461.57

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
92.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4520184

Name:
3-(4-Carbamoyl-1H-1,2,3-triazol-1-yl)phenyl (2-(4-phenylpiperazin-1-yl)ethyShow More⌵

Mol. Formula:
C22H25N7O3

M.W.:
435.49

Type:
Unknown

AlogP:
1.28

Polar Surface Area:
118.61

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4517296

Name:
3-(5-Carbamoyl-1-methyl-1H-pyrrol-2-yl)phenyl (2-(4-phenylpiperazin-1-yl)etShow More⌵

Mol. Formula:
C25H29N5O3

M.W.:
447.54

Type:
Unknown

AlogP:
2.70

Polar Surface Area:
92.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4473519

Name:
3-(3-Carbamoyl-1H-pyrrol-1-yl)phenyl (2-(4-phenylpiperazin-1-yl)ethyl)carbaShow More⌵

Mol. Formula:
C24H27N5O3

M.W.:
433.51

16 activity values

9 unique targets

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
92.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4471658

Name:
3-(3-Carbamoyl-5-methylfuran-2-yl)phenyl (2-(4-phenylpiperazin-1-yl)ethyl)cShow More⌵

Mol. Formula:
C25H28N4O4

M.W.:
448.52

26 activity values

12 unique targets

Type:
Unknown

AlogP:
3.26

Polar Surface Area:
101.04

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4449756

Name:
3-(3-Carbamoyl-5-methyl-1H-pyrrol-2-yl)phenyl (2-(4-phenylpiperazin-1-yl)etShow More⌵

Mol. Formula:
C25H29N5O3

M.W.:
447.54

Type:
Unknown

AlogP:
3.00

Polar Surface Area:
103.69

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4446507

Name:
1-(3-(3-(2-(4-Phenylpiperazin-1-yl)ethyl)ureido)phenyl)-1H-pyrrole-3-carboxShow More⌵

Mol. Formula:
C24H28N6O2

M.W.:
432.53

Type:
Unknown

AlogP:
2.52

Polar Surface Area:
95.63

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4218039

Name:
1-(biphenyl-4-yl)vinyl piperidine-1-carboxylate

Mol. Formula:
C20H21NO2

M.W.:
307.39

Type:
Small molecule

AlogP:
4.95

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4115435

Name:
US9133148, 9ba

Mol. Formula:
C21H25ClF6N4O3

M.W.:
530.90

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
65.12

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4107003

Name:
US9133148, 9bi

Mol. Formula:
C22H27ClF6N4O2

M.W.:
528.93

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
39.26

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3987055

Name:
US9133148, 9s

Mol. Formula:
C20H25F6N3O4

M.W.:
485.43

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
54.48

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3986768

Name:
US9133148, 2i

Mol. Formula:
C15H14F6N4O4

M.W.:
428.29

4 activity values

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
84.84

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3986085

Name:
US9133148, 11y

Mol. Formula:
C26H27F6N3O3

M.W.:
543.51

Type:
Small molecule

AlogP:
5.34

Polar Surface Area:
53.09

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3985722

Name:
US9133148, 9az

Mol. Formula:
C18H17F7N4O2

M.W.:
454.35