Compounds

ALA2286701

Name:
N',N-(3,3'-(propane-1,3-diyl)bis(1-((6-chloropyridin-3-yl)methyl)imidazolidShow More⌵

Mol. Formula:
C21H24Cl2N10O4

M.W.:
551.40

10 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
149.74

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA2286700

Name:
N,N'-(3,3'-(pentane-1,5-diyl)bis(1-((6-chloropyridin-3-yl)methyl)imidazolidShow More⌵

Mol. Formula:
C23H28Cl2N10O4

M.W.:
579.45

10 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
149.74

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA2286699

Name:
N,N'-(3,3'-(nonane-1,9-diyl)bis(1-((6-chloropyridin-3-yl)methyl)imidazolidiShow More⌵

Mol. Formula:
C27H36Cl2N10O4

M.W.:
635.56

10 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
149.74

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA2286698

Name:
N,N'-(3,3'-((E)-but-2-ene-1,4-diyl)bis(1-((6-chloropyridin-3-yl)methyl)imidShow More⌵

Mol. Formula:
C22H24Cl2N10O4

M.W.:
563.41

9 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
149.74

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA2286697

Name:
N,N'-(3,3'-(but-2-yne-1,4-diyl)bis(1-((6-chloropyridin-3-yl)methyl)imidazolShow More⌵

Mol. Formula:
C22H22Cl2N10O4

M.W.:
561.39

9 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.82

Polar Surface Area:
149.74

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2286696

Name:
N',N-(3,3'-(3,3'-oxybis(propane-3,1-diyl))bis(1-((6-chloropyridin-3-yl)methShow More⌵

Mol. Formula:
C24H30Cl2N10O5

M.W.:
609.48

9 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
158.97

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA2286695

Name:
2-chloro-5-{[(2E)-3-(3-{[(2E)-3-[(6-chloropyridin-3-yl)methyl]-2-(nitroiminShow More⌵

Mol. Formula:
C25H24Cl2N10O4

M.W.:
599.44

9 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
149.74

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2286694

Name:
2-chloro-5-{[(2E)-3-(4-{[(2E)-3-[(6-chloropyridin-3-yl)methyl]-2-(nitroiminShow More⌵

Mol. Formula:
C25H24Cl2N10O4

M.W.:
599.44

9 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
149.74

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2272997

Name:
(R)-methyl-imidacloprid

Mol. Formula:
C10H12ClN5O2

M.W.:
269.69

16 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.25

Polar Surface Area:
83.66

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2272996

Name:
(S)-methyl-imidacloprid

Mol. Formula:
C10H12ClN5O2

M.W.:
269.69

16 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.25

Polar Surface Area:
83.66

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2272995

Name:
(R,S)-methyl-imidacloprid

Mol. Formula:
C10H12ClN5O2

M.W.:
269.69

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.25

Polar Surface Area:
83.66

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2272950

Name:
3-methyl-5-(3-pyridyl)-1,2,4-thiadiazole

Mol. Formula:
C8H7N3S

M.W.:
177.23

15 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.91

Polar Surface Area:
38.67

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2269823

Name:
N-(3-((6-chloropyridin-3-yl)methyl)-1,3,5-oxadiazinan-4-ylidene)nitramide

Mol. Formula:
C9H10ClN5O3

M.W.:
271.66

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.62

Polar Surface Area:
92.89

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS