Compounds

ALA5271122

Name:
6,8-dimethyl-6H-pyrazolo[4,3-e]tetrazolo[1,5-b][1,2,4]triazine

Mol. Formula:
C6H6N8

M.W.:
190.17

Type:
---

AlogP:
-0.89

Polar Surface Area:
86.68

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5268009

Name:
ethyl 4-amino-8-cyano-7-methyl-6-phenylpyrrolo[2,1-c][1,2,4]triazine-3-carbShow More⌵

Mol. Formula:
C17H15N5O2

M.W.:
321.34

Type:
---

AlogP:
2.34

Polar Surface Area:
106.30

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5277935

Name:
3-acetyl-4,7-dimethyl-6-phenylpyrrolo[2,1-c][1,2,4]triazine-8-carbonitrile

Mol. Formula:
C17H14N4O

M.W.:
290.33

Type:
---

AlogP:
3.09

Polar Surface Area:
71.05

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5277176

Name:
4-amino-7-methyl-6-phenylpyrrolo[2,1-c][1,2,4]triazine-3,8-dicarbonitrile

Mol. Formula:
C15H10N6

M.W.:
274.29

Type:
---

AlogP:
2.03

Polar Surface Area:
103.79

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5286111

Name:
4-amino-8-cyano-7-methyl-6-phenylpyrrolo[2,1-c][1,2,4]triazine-3-carboxamidShow More⌵

Mol. Formula:
C15H12N6O

M.W.:
292.30

Type:
---

AlogP:
1.26

Polar Surface Area:
123.09

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5285426

Name:
4-amino-6-methyl-7-phenylpyrrolo[2,1-c][1,2,4]triazine-3,8-dicarbonitrile

Mol. Formula:
C15H10N6

M.W.:
274.29

Type:
---

AlogP:
2.03

Polar Surface Area:
103.79

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5187375

Name:
N-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[4,3-d]pShow More⌵

Mol. Formula:
C18H12ClF2N5

M.W.:
371.78

6 activity values

5 unique targets

Type:
---

AlogP:
4.80

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2414934

Name:
5-[5-(4-Methoxyphenyl)-3-naphthalen-2-yl-4,5-dihydropyrazol-1-yl]-3-morpholShow More⌵

Mol. Formula:
C28H28N4O4S

M.W.:
516.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
74.68

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2347231

Name:
4-(4-Chlorophenylamino)-6-ureidoquinazoline

Mol. Formula:
C15H12ClN5O

M.W.:
313.75

232 activity values

60 unique targets

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
92.93

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2235178

Name:
4-(4-methoxyphenyl)-2-oxo-6-(thiophen-2-yl)-1,2-dihydropyridine-3-carbonitrShow More⌵

Mol. Formula:
C17H12N2O2S

M.W.:
308.36

25 activity values

24 unique targets

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
65.88

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2172550

Name:
3-[5-(4-Methoxyphenyl)-3-naphthalen-2-ylpyrazol-1-yl]-2,3-dihydro-1H-indol-Show More⌵

Mol. Formula:
C28H21N3O2

M.W.:
431.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.92

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA266060

Name:
gymnasterone A

Mol. Formula:
C45H67NO5

M.W.:
702.03

39 activity values

35 unique targets

Type:
Small molecule

AlogP:
8.79

Polar Surface Area:
103.70

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA365210

Name:
1-(4,6-Dimethoxy-[1,3,5]triazin-2-ylethynyl)-cyclohexanol

Mol. Formula:
C13H17N3O3

M.W.:
263.30

57 activity values

56 unique targets

Type:
Small molecule

AlogP:
0.94

Polar Surface Area:
77.36

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS