Compounds

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
50.49

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA2289225

Name:
1-(3,4-Dihydro-3-m-tolyl-2-(1H-1,2,4-triazol-1-yl)quinazolin-4-yl)-3,3-dimeShow More⌵

Mol. Formula:
C23H25N5O

M.W.:
387.49

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
63.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2289224

Name:
1-(3,4-Dihydro-3-phenyl-2-(1H-1,2,4-triazol-1-yl)quinazolin-4-yl)-3,3-dimetShow More⌵

Mol. Formula:
C22H23N5O

M.W.:
373.46

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
63.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2289223

Name:
1-(3,4-Dihydro-3-isopropyl-2-(1H-1,2,4-triazol-1-yl)quinazolin-4-yl)propan-Show More⌵

Mol. Formula:
C16H19N5O

M.W.:
297.36

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
63.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA2289222

Name:
1-(3,4-Dihydro-3-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-quinazolin-4-ylShow More⌵

Mol. Formula:
C19H16FN5O

M.W.:
349.37

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
63.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2289221

Name:
1-(3,4-Dihydro-3-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-quinazolin-4-ylShow More⌵

Mol. Formula:
C19H16ClN5O

M.W.:
365.82

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
63.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2289220

Name:
1-(3,4-Dihydro-3-m-tolyl-2-(1H-1,2,4-triazol-1-yl)quinazolin-4-yl)propan-2-Show More⌵

Mol. Formula:
C20H19N5O

M.W.:
345.41

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
63.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2289219

Name:
1-(3,4-Dihydro-3-phenyl-2-(1H-1,2,4-triazol-1-yl)quinazolin-4-yl)-propan-2-Show More⌵

Mol. Formula:
C19H17N5O

M.W.:
331.38

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
63.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2289218

Name:
1-(6-Chloro-3,4-dihydro-3-isopropyl-2-(1H-1,2,4-triazol-1-yl)-quinazolin-4-Show More⌵

Mol. Formula:
C16H18ClN5O

M.W.:
331.81

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
63.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA2289217

Name:
Ethyl 2-(6-chloro-3-(4-fluorophenyl)-3,4-dihydro-2-(1H-1,2,4-triazol-1-yl)qShow More⌵

Mol. Formula:
C20H17ClFN5O

M.W.:
397.84

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
63.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2289216

Name:
Ethyl 2-(6-chloro-3-(4-chlorophenyl)-3,4-dihydro-2-(1H-1,2,4-triazol-1-yl)qShow More⌵

Mol. Formula:
C20H17Cl2N5O

M.W.:
414.30

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
63.38

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2289215

Name:
1-(6-Chloro-3,4-dihydro-3-phenyl-2-(1H-1,2,4-triazol-1-yl)-quinazolin-4-yl)Show More⌵

Mol. Formula:
C19H16ClN5O

M.W.:
365.82

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
63.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2289212

Name:
Ethyl 2-(3,4-dihydro-2-(1H-imidazol-1-yl)-3-phenylquinazolin-4-yl)acetate

Mol. Formula:
C21H20N4O

M.W.:
344.42

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
50.49

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2289211

Name:
1-(3-Phenyl-3,4-dihydro-2-(1H-imidazol-1-yl)quinazolin-4-yl)-propan-2-one

Mol. Formula:
C20H18N4O

M.W.:
330.39

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
50.49

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2289207

Name:
1-(3,4-Dihydro-2-(1H-imidazol-1-yl)-3-isopropylquinazolin-4-yl)-propan-2-onShow More⌵

Mol. Formula:
C17H20N4O

M.W.:
296.37

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
50.49

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA2271744

Name:
2-(1H-imidazol-5-yl)-2,3-dihydroperimidine

Mol. Formula:
C14H12N4

M.W.:
236.28

2 unique targets

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
52.74

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2271743

Name:
7-methoxy-2H-benzo[b][1,4]thiazine-3-amine

Mol. Formula:
C9H10N2OS

M.W.:
194.26

2 unique targets

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
47.61

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2271742

Name:
5-phenylpyrimidin-4-ylhydrazine

Mol. Formula:
C10H10N4

M.W.:
186.22

2 unique targets

Type:
Small molecule

AlogP:
1.43

Polar Surface Area:
63.83

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2251914

Name:
(R)-2-((R)-2-((R)-2-acetamido-5-guanidinopentanamido)-5-guanidinopentanamidShow More⌵

Mol. Formula:
C57H82N18O8

M.W.:
1147.40

1 activity values

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2251913

Name:
(R)-2-((R)-2-((R)-2-acetamido-3-(1H-imidazol-5-yl)propanamido)-5-guanidinopShow More⌵

Mol. Formula:
C57H77N17O8

M.W.:
1128.35

1 activity values