Compounds

ALA2286754

Name:
ethyl 4-amino-3-phenyl-2-(propylimino)-2,3-dihydro
Show More⌵

Mol. Formula:
C15H19N3O2S

M.W.:
305.40

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
69.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA2286753

Name:
ethyl 4-amino-2-(hexylimino)-3-phenyl-2,3-dihydrot
Show More⌵

Mol. Formula:
C18H25N3O2S

M.W.:
347.48

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
69.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2286525

Name:
ethyl 4-amino-2-(butylimino)-3-phenyl-2,3-dihydrot
Show More⌵

Mol. Formula:
C16H21N3O2S

M.W.:
319.43

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
69.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2286524

Name:
ethyl 4-amino-2-(benzylimino)-3-phenyl-2,3-dihydro
Show More⌵

Mol. Formula:
C19H19N3O2S

M.W.:
353.45

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
69.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2286523

Name:
ethyl 4-amino-3-phenyl-2-(phenylimino)-2,3-dihydro
Show More⌵

Mol. Formula:
C18H17N3O2S

M.W.:
339.42

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
69.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2286522

Name:
ethyl 4-amino-2-(2-chlorobenzylimino)-3-phenyl-2,3
Show More⌵

Mol. Formula:
C19H18ClN3O2S

M.W.:
387.89

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
69.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2286521

Name:
ethyl 4-amino-2-(4-bromophenylimino)-3-phenyl-2,3-
Show More⌵

Mol. Formula:
C18H16BrN3O2S

M.W.:
418.32

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
69.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2286520

Name:
ethyl 4-amino-3-phenyl-2-(p-tolylimino)-2,3-dihydr
Show More⌵

Mol. Formula:
C19H19N3O2S

M.W.:
353.45

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
69.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2286519

Name:
ethyl 4-amino-2-(4-methoxyphenylimino)-3-phenyl-2,
Show More⌵

Mol. Formula:
C19H19N3O3S

M.W.:
369.45

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
78.84

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2286518

Name:
diethyl 2,2'-(ethane-1,2-diylbis(azan-1-yl-1-ylide
Show More⌵

Mol. Formula:
C26H28N6O4S2

M.W.:
552.68

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
139.22

HBA:
12

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA2286517

Name:
diethyl 2,2'-(propane-1,3-diylbis(azan-1-yl-1-ylid
Show More⌵

Mol. Formula:
C27H30N6O4S2

M.W.:
566.71

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
139.22

HBA:
12

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA2286516

Name:
diethyl 2,2'-(hexane-1,6-diylbis(azan-1-yl-1-ylide
Show More⌵

Mol. Formula:
C30H36N6O4S2

M.W.:
608.79

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
139.22

HBA:
12

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA2272999

Name:
(Z)-ethoxyethyl 2-cyano-3-isopropyl-3-(4-chlorophe
Show More⌵

Mol. Formula:
C18H23ClN2O3

M.W.:
350.85

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
71.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2272479

Name:
2-((4-Fluorophenoxy)methyl)-6,7-dimethoxy-4H-3,1-b
Show More⌵

Mol. Formula:
C17H14FNO5

M.W.:
331.30

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
70.79

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2272478

Name:
2-((4-Fluorophenoxy)methyl)-6-methyl-4H-3,1-benzox
Show More⌵

Mol. Formula:
C16H12FNO3

M.W.:
285.27

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
52.33

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2272477

Name:
7-Chloro-2-((4-fluorophenoxy)methyl)-4H-3,1-benzox
Show More⌵

Mol. Formula:
C15H9ClFNO3

M.W.:
305.69

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
52.33

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2268525

Name:
6-Chloro-2-((4-fluorophenoxy)methyl)-4H-3,1-benzox
Show More⌵

Mol. Formula:
C15H9ClFNO3

M.W.:
305.69

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
52.33

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2272476

Name:
5-Chloro-2-((4-fluorophenoxy)methyl)-4H-3,1-benzox
Show More⌵

Mol. Formula:
C15H9ClFNO3

M.W.:
305.69

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
52.33

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2272475

Name:
2-((4-Fluorophenoxy)methyl)-4H-3,1-benzoxazin-4-on
Show More⌵

Mol. Formula:
C15H10FNO3

M.W.:
271.25

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
52.33

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2272474

Name:
2-((2,4-Dichlorophenoxy)methyl)-6,7-dimethoxy-4H-3
Show More⌵

Mol. Formula:
C17H13Cl2NO5

M.W.:
382.20

9 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
70.79

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS