Compounds

ALA5279908

Name:
N-(1,3-benzothiazol-5-yl)-8-cyclopropyl-6,6-dioxo-thieno[2,3-g]quinazolin-4Show More⌵

Mol. Formula:
C20H14N4O2S2

M.W.:
406.49

Type:
---

AlogP:
4.52

Polar Surface Area:
84.84

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5279827

Name:
N-(1,3-benzothiazol-5-yl)-8-(4-fluorophenyl)-6,6-dioxo-thieno[2,3-g]quinazoShow More⌵

Mol. Formula:
C23H13FN4O2S2

M.W.:
460.52

Type:
---

AlogP:
5.30

Polar Surface Area:
84.84

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5277405

Name:
8-cyclopropyl-N-(5-fluoro-1H-indazol-3-yl)-6,6-dioxo-thieno[2,3-g]quinazoliShow More⌵

Mol. Formula:
C20H14FN5O2S

M.W.:
407.43

Type:
---

AlogP:
3.93

Polar Surface Area:
100.63

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5277359

Name:
3-[(8-cyclopropyl-6,6-dioxo-thieno[2,3-g]quinazolin-4-yl)amino]-4-fluoro-phShow More⌵

Mol. Formula:
C19H14FN3O3S

M.W.:
383.40

Type:
---

AlogP:
3.76

Polar Surface Area:
92.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5277132

Name:
N-(3H-benzimidazol-5-yl)-8-cyclopropyl-6,6-dioxo-thieno[2,3-g]quinazolin-4-Show More⌵

Mol. Formula:
C20H15N5O2S

M.W.:
389.44

Type:
---

AlogP:
3.79

Polar Surface Area:
100.63

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5276428

Name:
N-(1,3-benzothiazol-5-yl)-7-methyl-6,6-dioxo-thieno[2,3-g]quinazolin-4-aminShow More⌵

Mol. Formula:
C18H12N4O2S2

M.W.:
380.45

Type:
---

AlogP:
4.13

Polar Surface Area:
84.84

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5274710

Name:
N-(1,3-benzothiazol-5-yl)-8-methyl-6,6-dioxo-thieno[2,3-g]quinazolin-4-aminShow More⌵

Mol. Formula:
C18H12N4O2S2

M.W.:
380.45

Type:
---

AlogP:
4.13

Polar Surface Area:
84.84

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5274652

Name:
N-(1,3-benzothiazol-5-yl)-7,8-dimethyl-6,6-dioxo-thieno[2,3-g]quinazolin-4-Show More⌵

Mol. Formula:
C19H14N4O2S2

M.W.:
394.48

Type:
---

AlogP:
4.52

Polar Surface Area:
84.84

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5290584

Name:
N-(1,3-benzothiazol-5-yl)-2,7-dimethyl-6,6-dioxo-thieno[2,3-g]quinazolin-4-Show More⌵

Mol. Formula:
C19H14N4O2S2

M.W.:
394.48

Type:
---

AlogP:
4.44

Polar Surface Area:
84.84

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5288822

Name:
8-cyclopropyl-N-(1H-indol-6-yl)-6,6-dioxo-thieno[2,3-g]quinazolin-4-amine

Mol. Formula:
C21H16N4O2S

M.W.:
388.45

Type:
---

AlogP:
4.39

Polar Surface Area:
87.74

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5288133

Name:
3-[(8-cyclopropyl-6,6-dioxo-thieno[2,3-g]quinazolin-4-yl)amino]-4-methyl-phShow More⌵

Mol. Formula:
C20H17N3O3S

M.W.:
379.44

Type:
---

AlogP:
3.93

Polar Surface Area:
92.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5287768

Name:
N-(1,3-benzothiazol-5-yl)-8-ethoxy-7-methyl-6,6-dioxo-thieno[2,3-g]quinazolShow More⌵

Mol. Formula:
C20H16N4O3S2

M.W.:
424.51

Type:
---

AlogP:
4.50

Polar Surface Area:
94.07

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5286856

Name:
N-(3H-benzotriazol-5-yl)-8-cyclopropyl-6,6-dioxo-thieno[2,3-g]quinazolin-4-Show More⌵

Mol. Formula:
C19H14N6O2S

M.W.:
390.43

Type:
---

AlogP:
3.18

Polar Surface Area:
113.52

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5286467

Name:
8-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)-6,6-dioxo-thieno[2,3-g]quinaShow More⌵

Mol. Formula:
C18H17N5O2S

M.W.:
367.43

Type:
---

AlogP:
3.25

Polar Surface Area:
100.63

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5286275

Name:
N-(1,3-benzothiazol-5-yl)-6,6-dioxo-8-phenyl-thieno[2,3-g]quinazolin-4-aminShow More⌵

Mol. Formula:
C23H14N4O2S2

M.W.:
442.53

Type:
---

AlogP:
5.16

Polar Surface Area:
84.84

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5267954

Name:
N-(1,3-benzothiazol-5-yl)-8-ethoxy-6,6-dioxo-thieno[2,3-g]quinazolin-4-aminShow More⌵

Mol. Formula:
C19H14N4O3S2

M.W.:
410.48

Type:
---

AlogP:
4.11

Polar Surface Area:
94.07

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5271765

Name:
N-(1,3-benzothiazol-5-yl)-8-methoxy-6,6-dioxo-thieno[2,3-g]quinazolin-4-amiShow More⌵

Mol. Formula:
C18H12N4O3S2

M.W.:
396.45

Type:
---

AlogP:
3.72

Polar Surface Area:
94.07

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5197634

Name:
7-((1s,4s)-4-(benzylamino)cyclohexyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]Show More⌵

Mol. Formula:
C26H29N5O

M.W.:
427.55

6 activity values

5 unique targets

Type:
---

AlogP:
4.96

Polar Surface Area:
77.99

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5205764

Name:
N-((1s,4s)-4-(4-amino-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cShow More⌵

Mol. Formula:
C29H33N5O5

M.W.:
531.61

4 activity values

4 unique targets

Type:
---

AlogP:
4.63

Polar Surface Area:
122.75

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5205532

Name:
5-(4-amino-3-fluorophenyl)-7-((1s,4s)-4-aminocyclohexyl)-7H-pyrrolo[2,3-d]pShow More⌵

Mol. Formula:
C18H21FN6

M.W.:
340.41

6 activity values

4 unique targets

Type:
---

AlogP:
2.84

Polar Surface Area:
108.77

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS