Compounds

Type:
Unknown

AlogP:
1.12

Polar Surface Area:
71.24

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4798915

Name:
8-Chloro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrido[2,3-Show More⌵

Mol. Formula:
C14H14ClN7

M.W.:
315.77

Type:
Unknown

AlogP:
1.22

Polar Surface Area:
62.45

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4798729

Name:
4-(4-Methylpiperazin-1-yl)-8-nitro-[1,2,4]triazolo[4,3-a]quinoxaline

Mol. Formula:
C14H15N7O2

M.W.:
313.32

Type:
Unknown

AlogP:
0.94

Polar Surface Area:
92.70

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4798369

Name:
1-methyl-4-((5-phenyl-2,3-dihydrobenzofuran-2-yl)methyl)piperazine

Mol. Formula:
C20H24N2O

M.W.:
308.43

4 activity values

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
15.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4797517

Name:
8-Chloro-4-(4-methylpiperazin-1-yl)pyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazShow More⌵

Mol. Formula:
C13H14ClN7

M.W.:
303.76

16 activity values

5 unique targets

Type:
Unknown

AlogP:
1.08

Polar Surface Area:
62.45

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4796842

Name:
(R)-1-(8-Chloropyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-4-yl)-N,N-dimethyShow More⌵

Mol. Formula:
C14H16ClN7

M.W.:
317.78

Type:
Unknown

AlogP:
1.47

Polar Surface Area:
62.45

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4796300

Name:
8-Chloro-4-(4-methyl-1,4-diazepan-1-yl)pyrido[2,3-e][1,2,4]triazolo[4,3-a]pShow More⌵

Mol. Formula:
C14H16ClN7

M.W.:
317.78

Type:
Unknown

AlogP:
1.47

Polar Surface Area:
62.45

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4795091

Name:
8-Methyl-4-(4-methylpiperazin-1-yl)pyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazShow More⌵

Mol. Formula:
C14H17N7

M.W.:
283.34

Type:
Unknown

AlogP:
0.73

Polar Surface Area:
62.45

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4794981

Name:
8-Chloro-4-(1,4-diazepan-1-yl)pyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazine

Mol. Formula:
C13H14ClN7

M.W.:
303.76

Type:
Unknown

AlogP:
1.13

Polar Surface Area:
71.24

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4794724

Name:
1-(9-Chloropyrido[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-N-methylazetiShow More⌵

Mol. Formula:
C12H12ClN7

M.W.:
289.73

3 activity values

3 unique targets

Type:
Unknown

AlogP:
0.73

Polar Surface Area:
71.24

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4794336

Name:
(S)-8-Chloro-4-(3,4-dimethylpiperazin-1-yl)pyrido[2,3-e][1,2,4]triazolo[4,3Show More⌵

Mol. Formula:
C14H16ClN7

M.W.:
317.78

Type:
Unknown

AlogP:
1.47

Polar Surface Area:
62.45

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4793974

Name:
8-Chloro-4-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)pyrido[2,3-e][1,2,4]triShow More⌵

Mol. Formula:
C15H16ClN7

M.W.:
329.80

Type:
Unknown

AlogP:
1.61

Polar Surface Area:
62.45

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4793425

Name:
4-(4-Methylpiperazin-1-yl)pyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazine-8-carShow More⌵

Mol. Formula:
C14H14N8

M.W.:
294.32

Type:
Unknown

AlogP:
0.30

Polar Surface Area:
86.24

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4792753

Name:
1-((5-chloro-2,3-dihydrobenzofuran-2-yl)methyl)-4-methylpiperazine

Mol. Formula:
C14H19ClN2O

M.W.:
266.77

Type:
Unknown

AlogP:
1.89

Polar Surface Area:
15.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.81

DETAILS

ALA4792733

Name:
8-Chloro-4-(piperazin-1-yl)pyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazine

Mol. Formula:
C12H12ClN7

M.W.:
289.73

3 activity values

3 unique targets

Type:
Unknown

AlogP:
0.74

Polar Surface Area:
71.24

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4792352

Name:
4-(4-Methylpiperazin-1-yl)-8-(trifluoromethyl)pyrido[2,3-e][1,2,4]triazolo[Show More⌵

Mol. Formula:
C14H14F3N7

M.W.:
337.31

Type:
Unknown

AlogP:
1.44

Polar Surface Area:
62.45

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4791152

Name:
6-(4-Methylpiperazin-1-yl)pyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazine

Mol. Formula:
C13H15N7

M.W.:
269.31

Type:
Unknown

AlogP:
0.42

Polar Surface Area:
62.45

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4790726

Name:
8-Chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline

Mol. Formula:
C15H16ClN5

M.W.:
301.78