Compounds

Type:
Small molecule

AlogP:
0.76

Polar Surface Area:
45.46

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA544354

Name:
2-Methyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; 2 hydrochloride

Mol. Formula:
C11H16ClN5

M.W.:
253.74

4 activity values

Type:
Small molecule

AlogP:
0.45

Polar Surface Area:
45.46

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA127303

Name:
8-(4-Methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazine

Mol. Formula:
C11H15N5

M.W.:
217.28

4 activity values

Type:
Small molecule

AlogP:
0.48

Polar Surface Area:
36.67

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA124926

Name:
3,5-Dibromo-8-piperazin-1-yl-imidazo[1,2-a]pyrazine

Mol. Formula:
C10H11Br2N5

M.W.:
361.04

3 activity values

Type:
Small molecule

AlogP:
1.66

Polar Surface Area:
45.46

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA541208

Name:
Cyclohexyl-(4,5-dihydro-1H-imidazol-2-ylmethyl)-p-tolyl-amine

Mol. Formula:
C17H25N3

M.W.:
271.41

6 activity values

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
27.63

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA49953

Name:
(4,5-Dihydro-1H-imidazol-2-ylmethyl)-ethyl-p-tolyl-amine

Mol. Formula:
C13H19N3

M.W.:
217.32

Type:
Small molecule

AlogP:
1.82

Polar Surface Area:
27.63

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA300628

Name:
(4,5-Dihydro-1H-imidazol-2-ylmethyl)-methyl-p-tolyl-amine

Mol. Formula:
C12H17N3

M.W.:
203.29

Type:
Small molecule

AlogP:
1.43

Polar Surface Area:
27.63

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA51479

Name:
3-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)-amino]-phenol

Mol. Formula:
C10H13N3O

M.W.:
191.23

4 activity values

Type:
Small molecule

AlogP:
0.81

Polar Surface Area:
56.65

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA51358

Name:
(2-Chloro-phenyl)-(4,5-dihydro-1H-imidazol-2-ylmethyl)-amine

Mol. Formula:
C10H12ClN3

M.W.:
209.68

12 activity values

8 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
36.42

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA51131

Name:
(4,5-Dihydro-1H-imidazol-2-ylmethyl)-phenyl-p-tolyl-amine

Mol. Formula:
C17H19N3

M.W.:
265.36

6 activity values

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
27.63

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA300053

Name:
(4,5-Dihydro-1H-imidazol-2-ylmethyl)-p-tolyl-amine

Mol. Formula:
C11H15N3

M.W.:
189.26

Type:
Small molecule

AlogP:
1.41

Polar Surface Area:
36.42

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA299595

Name:
2-hydroxy-N-methyl-N-[(2R,4S)-17-oxa-7-azatetracyclo[8.7.0.0^{2,7}.0^{11,16Show More⌵

Mol. Formula:
C18H24N2O4S

M.W.:
364.47

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
73.99

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA48603

Name:
2-hydroxy-N-methyl-N-[(2S,4R)-17-oxa-7-azatetracyclo[8.7.0.0^{2,7}.0^{11,16Show More⌵

Mol. Formula:
C18H24N2O4S

M.W.:
364.47

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
73.99

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA48558

Name:
2-Hydroxy-ethanesulfonic acid (1,3,4,5,6,11b-hexahydro-2H-11-oxa-4a-aza-benShow More⌵

Mol. Formula:
C18H24N2O4S

M.W.:
364.47

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
73.99

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA50017

Name:
1-(3-Bromo-pyridin-2-yl)-4-methyl-piperazine

Mol. Formula:
C10H14BrN3

M.W.:
256.15

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.60

Polar Surface Area:
19.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.76

DETAILS

ALA50016

Name:
1-(3,5-Dichloro-pyridin-2-yl)-piperazine

Mol. Formula:
C9H11Cl2N3

M.W.:
232.11

Type:
Small molecule

AlogP:
1.80

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA299007

Name:
1-(3-Chloro-4-methyl-pyridin-2-yl)-piperazine

Mol. Formula:
C10H14ClN3

M.W.:
211.70

Type:
Small molecule

AlogP:
1.45

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.76

DETAILS

1-(3-Nitropyridin-2-yl)piperazine

Name:
1-(3-Nitro-pyridin-2-yl)-piperazine

Mol. Formula:
C9H12N4O2

M.W.:
208.22

Type:
Small molecule

AlogP:
0.40

Polar Surface Area:
71.30

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA48833

Name:
1-(3-Fluoro-pyridin-2-yl)-piperazine

Mol. Formula:
C9H12FN3

M.W.:
181.21

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
0.63

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.69

DETAILS

2-piperazin-1-ylpyridin-3-amine

Name:
2-Piperazin-1-yl-pyridin-3-ylamine

Mol. Formula:
C9H14N4

M.W.:
178.24