Compounds

ALA3818540

Name:
2-((2-butyl-4-chloro-1-(4-methylbenzyl)-1H-imidazol-5-yl)methyleneamino)-6-Show More⌵

Mol. Formula:
C32H32ClN5O3

M.W.:
570.09

15 activity values

13 unique targets

Type:
Small molecule

AlogP:
5.86

Polar Surface Area:
80.03

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3818100

Name:
2-((2-butyl-4-chloro-1-(4-methoxybenzyl)-1H-imidazol-5-yl)methyleneamino)-6Show More⌵

Mol. Formula:
C32H32ClN5O4

M.W.:
586.09

15 activity values

13 unique targets

Type:
Small molecule

AlogP:
5.56

Polar Surface Area:
89.26

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3819471

Name:
2-((2-Butyl-4-chloro-1-(4-nitrobenzyl)-1H-imidazol-5-yl)methyleneamino)-6-mShow More⌵

Mol. Formula:
C31H29ClN6O5

M.W.:
601.06

25 activity values

14 unique targets

Type:
Small molecule

AlogP:
5.46

Polar Surface Area:
123.17

HBA:
9

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3818333

Name:
2-((2-butyl-4-chloro-1-(4-fluorobenzyl)-1H-imidazol-5-yl)methyleneamino)-6-Show More⌵

Mol. Formula:
C31H29ClFN5O3

M.W.:
574.06

15 activity values

13 unique targets

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
80.03

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2382006

Name:
rac-ethyl 6,8-dichloro-1-(oxiran-2-ylmethyl)-4-oxo-1,4-dihydroquinoline-3-cShow More⌵

Mol. Formula:
C15H13Cl2NO4

M.W.:
342.18

26 activity values

13 unique targets

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
60.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2381920

Name:
rac-ethyl 6,8-difluoro-1-(oxiran-2-ylmethyl)-4-oxo-1,4-dihydroquinoline-3-cShow More⌵

Mol. Formula:
C15H13F2NO4

M.W.:
309.27

25 activity values

13 unique targets

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
60.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA1922166

Name:
2-(2-Ethylphenyl)benzothiazole

Mol. Formula:
C15H13NS

M.W.:
239.34

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
12.89

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA1922089

Name:
1-(3,4-Dichlorobenzyl)-2-(3,4-dichlorophenyl)benzimidazole

Mol. Formula:
C20H12Cl4N2

M.W.:
422.14

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.37

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA601835

Name:
3-[2-(2-Methylcyclohexylidene)hydrazinyl]quinoxalin-2(1H)-one

Mol. Formula:
C15H18N4O

M.W.:
270.34

19 activity values

11 unique targets

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
70.14

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA601513

Name:
3-[2-(2-Chlorocyclohexylidene)hydrazinyl]quinoxalin-2(1H)-one

Mol. Formula:
C14H15ClN4O

M.W.:
290.75

19 activity values

11 unique targets

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
70.14

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS