Compounds

Type:
---

AlogP:
2.55

Polar Surface Area:
71.32

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5205846

Name:
7-Ethyl-2-((2-((4-methoxyphenyl)amino)ethyl)amino)-5H-[1,3,4]thiadiazolo[3,Show More⌵

Mol. Formula:
C16H19N5O2S

M.W.:
345.43

Type:
---

AlogP:
2.25

Polar Surface Area:
80.55

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5203861

Name:
3,4,5-trimethoxy-N-(2-methyl-3-(o-tolyl)allyl)-N-(2-(1-methylpyrrolidin-2-yShow More⌵

Mol. Formula:
C28H38N2O4

M.W.:
466.62

5 activity values

3 unique targets

Type:
---

AlogP:
5.05

Polar Surface Area:
51.24

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5203442

Name:
7-Ethyl-2-((2-(4-(2-phenylacetyl)piperazin-1-yl)ethyl)amino)-5H-[1,3,4]thiaShow More⌵

Mol. Formula:
C21H26N6O2S

M.W.:
426.55

Type:
---

AlogP:
1.51

Polar Surface Area:
82.84

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5202262

Name:
2-((2-(4-(3,3-Dimethylbutanoyl)piperazin-1-yl)ethyl)amino)-7-ethyl-5H-[1,3,Show More⌵

Mol. Formula:
C19H30N6O2S

M.W.:
406.56

Type:
---

AlogP:
1.71

Polar Surface Area:
82.84

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5202151

Name:
N-Methyl-N-((3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)methyl)-4-(naphthaleShow More⌵

Mol. Formula:
C25H25N3O3

M.W.:
415.49

Type:
---

AlogP:
3.90

Polar Surface Area:
64.43

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5201948

Name:
2-((2-(Cyclohexylamino)ethyl)amino)-7-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrShow More⌵

Mol. Formula:
C15H23N5OS

M.W.:
321.45

Type:
---

AlogP:
2.05

Polar Surface Area:
71.32

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5201646

Name:
7-Ethyl-2-((2-(pyridin-2-ylamino)ethyl)amino)-5H-[1,3,4]thiadiazolo[3,2-a]pShow More⌵

Mol. Formula:
C14H16N6OS

M.W.:
316.39

Type:
---

AlogP:
1.63

Polar Surface Area:
84.21

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5200435

Name:
Phenyl 4-(2-((7-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)aminShow More⌵

Mol. Formula:
C20H24N6O3S

M.W.:
428.52

Type:
---

AlogP:
1.94

Polar Surface Area:
92.07

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5200142

Name:
7-Ethyl-2-((2-((3-fluorophenyl)amino)ethyl)amino)-5H-[1,3,4]thiadiazolo[3,2Show More⌵

Mol. Formula:
C15H16FN5OS

M.W.:
333.39

Type:
---

AlogP:
2.38

Polar Surface Area:
71.32

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5199595

Name:
7-Ethyl-2-((2-(4-methylpiperazin-1-yl)ethyl)amino)-5H-[1,3,4]thiadiazolo[3,Show More⌵

Mol. Formula:
C14H22N6OS

M.W.:
322.44

Type:
---

AlogP:
0.37

Polar Surface Area:
65.77

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5198827

Name:
2-((2-(4-(2-Cyclohexylacetyl)piperazin-1-yl)ethyl)amino)-7-ethyl-5H-[1,3,4]Show More⌵

Mol. Formula:
C21H32N6O2S

M.W.:
432.59

Type:
---

AlogP:
2.24

Polar Surface Area:
82.84

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5197048

Name:
2-((3-(Benzyl(methyl)amino)propyl)amino)-7-ethyl-5H-[1,3,4]thiadiazolo[3,2-Show More⌵

Mol. Formula:
C18H23N5OS

M.W.:
357.48

Type:
---

AlogP:
2.65

Polar Surface Area:
62.53

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5196440

Name:
4-(4-(tert-Butyl)phenoxy)-N-((3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)metShow More⌵

Mol. Formula:
C24H29N3O3

M.W.:
407.51

Type:
---

AlogP:
3.71

Polar Surface Area:
73.22

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5195231

Name:
7-Ethyl-2-((2-(4-Pivaloylpiperazin-1-yl)ethyl)amino)-5H-[1,3,4]thiadiazolo[Show More⌵

Mol. Formula:
C18H28N6O2S

M.W.:
392.53

Type:
---

AlogP:
1.32

Polar Surface Area:
82.84

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5194677

Name:
(S)-6-amino-2-((2S,5S,8S,11S,20S)-20-amino-11-benzyl-2,5-bis(3-guanidinoproShow More⌵

Mol. Formula:
C45H72N16O8S

M.W.:
997.24

1 activity values

Type:
---

AlogP:
-3.65

Polar Surface Area:
422.63

HBA:
13

HBD:
16

#RO5 Violations:
3

#Rotatable Bonds:
34

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA5194185

Name:
N-Cyclopentyl-4-(2-((7-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-Show More⌵

Mol. Formula:
C19H29N7O2S

M.W.:
419.56

Type:
---

AlogP:
1.40

Polar Surface Area:
94.87

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5193261

Name:
tert-Butyl 4-(3-((7-Ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)Show More⌵

Mol. Formula:
C19H30N6O3S

M.W.:
422.56

9 activity values

6 unique targets

Type:
---

AlogP:
2.07

Polar Surface Area:
92.07

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5190031

Name:
7-Ethyl-2-((2-((5-methylpyridin-2-yl)amino)ethyl)amino)-5H-[1,3,4]thiadiazoShow More⌵

Mol. Formula:
C15H18N6OS

M.W.:
330.42

Type:
---

AlogP:
1.94

Polar Surface Area:
84.21

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5188590

Name:
2-((2-(4-(2-Cyclopentylacetyl)piperazin-1-yl)ethyl)amino)-7-ethyl-5H-[1,3,4Show More⌵

Mol. Formula:
C20H30N6O2S

M.W.:
418.57