Compounds

ALA2252541

Name:
(R)-ethyl 2-(4-chlorophenyl)-2-(3-((6-chloropyridin-3-yl)methyl)-4-(nitroimShow More⌵

Mol. Formula:
C19H20Cl2N6O4

M.W.:
467.31

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
113.20

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2252540

Name:
(R)-ethyl 2-(4-chlorophenyl)-2-(3-((2-chlorothiazol-5-yl)methyl)-4-(nitroimShow More⌵

Mol. Formula:
C17H18Cl2N6O4S

M.W.:
473.34

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
113.20

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2252539

Name:
(S)-ethyl 2-(3-((6-chloropyridin-3-yl)methyl)-4-(nitroimino)-1,3,5-triazinaShow More⌵

Mol. Formula:
C16H23ClN6O4S

M.W.:
430.92

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.59

Polar Surface Area:
113.20

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2252538

Name:
(S)-ethyl 2-(3-((2-chlorothiazol-5-yl)methyl)-4-(nitroimino)-1,3,5-triazinaShow More⌵

Mol. Formula:
C14H21ClN6O4S2

M.W.:
436.95

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.65

Polar Surface Area:
113.20

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2252537

Name:
(2S,3S)-ethyl 2-(3-((6-chloropyridin-3-yl)methyl)-4-(nitroimino)-1,3,5-triaShow More⌵

Mol. Formula:
C17H25ClN6O4

M.W.:
412.88

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
113.20

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2252536

Name:
(2S,3S)-ethyl 2-(3-((2-chlorothiazol-5-yl)methyl)-4-(nitroimino)-1,3,5-triaShow More⌵

Mol. Formula:
C15H23ClN6O4S

M.W.:
418.91

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.94

Polar Surface Area:
113.20

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2252535

Name:
(S)-ethyl 2-(3-((6-chloropyridin-3-yl)methyl)-4-(nitroimino)-1,3,5-triazinaShow More⌵

Mol. Formula:
C17H25ClN6O4

M.W.:
412.88

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
113.20

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2252534

Name:
(S)-ethyl 2-(3-((2-chlorothiazol-5-yl)methyl)-4-(nitroimino)-1,3,5-triazinaShow More⌵

Mol. Formula:
C15H23ClN6O4S

M.W.:
418.91

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.94

Polar Surface Area:
113.20

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2252533

Name:
(S)-ethyl 2-(3-((6-chloropyridin-3-yl)methyl)-4-(nitroimino)-1,3,5-triazinaShow More⌵

Mol. Formula:
C16H23ClN6O4

M.W.:
398.85

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
113.20

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2252532

Name:
(S)-ethyl 2-(3-((2-chlorothiazol-5-yl)methyl)-4-(nitroimino)-1,3,5-triazinaShow More⌵

Mol. Formula:
C14H21ClN6O4S

M.W.:
404.88

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.55

Polar Surface Area:
113.20

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2252531

Name:
(S)-ethyl 2-(3-((6-chloropyridin-3-yl)methyl)-4-(nitroimino)-1,3,5-triazinaShow More⌵

Mol. Formula:
C14H19ClN6O4

M.W.:
370.80

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.86

Polar Surface Area:
113.20

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2252530

Name:
(S)-ethyl 2-(3-((2-chlorothiazol-5-yl)methyl)-4-(nitroimino)-1,3,5-triazinaShow More⌵

Mol. Formula:
C12H17ClN6O4S

M.W.:
376.83

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.92

Polar Surface Area:
113.20

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2252529

Name:
1-(6-Chloro-3-pyridinemethyl)-5-(1-ethoxycarbonylmethyl)-1,3,5-hexahydrotriShow More⌵

Mol. Formula:
C13H17ClN6O4

M.W.:
356.77

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.47

Polar Surface Area:
113.20

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2252528

Name:
ethyl 2-(3-((2-chlorothiazol-5-yl)methyl)-4-(nitroimino)-1,3,5-triazinan-1-Show More⌵

Mol. Formula:
C11H15ClN6O4S

M.W.:
362.80

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.53

Polar Surface Area:
113.20

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2252527

Name:
1-(6-Chloro-3-pyridinemethyl)-5-(3-ethoxycarbonylpropyl)-1,3,5-hexahydrotriShow More⌵

Mol. Formula:
C15H21ClN6O4

M.W.:
384.82

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.25

Polar Surface Area:
113.20

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2252526

Name:
1-(2-Chloro-5-thiazomethyl)-5-(3-ethoxycarbonylpropyl)-1,3,5-hexahydrotriazShow More⌵

Mol. Formula:
C13H19ClN6O4S

M.W.:
390.85

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.31

Polar Surface Area:
113.20

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2252525

Name:
1-(6-Chloro-3-pyridinemethyl)-5-(1,3-diethoxycarbonyl-2-propyl)-1,3,5-hexahShow More⌵

Mol. Formula:
C18H25ClN6O6

M.W.:
456.89

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.18

Polar Surface Area:
139.50

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA2252524

Name:
1-(2-Chloro-5-thiazomethyl)-5-(1,3-diethoxycarbonyl-2-propyl)-1,3,5-hexahydShow More⌵

Mol. Formula:
C16H23ClN6O6S

M.W.:
462.92

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.24

Polar Surface Area:
139.50

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2252523

Name:
1-(6-Chloro-3-pyridinemethyl)-5-(2-ethoxycarbonylethyl)-1,3,5-hexahydrotriaShow More⌵

Mol. Formula:
C14H19ClN6O4

M.W.:
370.80

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.86

Polar Surface Area:
113.20

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2252522

Name:
1-(2-Chloro-5-thiazomethyl)-5-(2-ethoxycarbonylethyl)-1,3,5-hexahydrotriaziShow More⌵

Mol. Formula:
C12H17ClN6O4S

M.W.:
376.83

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.92

Polar Surface Area:
113.20

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS