Compounds

ALA5265814

Name:
2-(4-(4-benzylpiperazin-1-yl)butyl)-4,4a,5,6-tetrahydrothieno[3,2-h]cinnoliShow More⌵

Mol. Formula:
C25H32N4OS

M.W.:
436.63

Type:
---

AlogP:
3.84

Polar Surface Area:
39.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5279473

Name:
2-(4-(pyrrolidin-1-yl)butyl)-4,4a,5,6-tetrahydrothieno[3,2-h]cinnolin-3(2H)Show More⌵

Mol. Formula:
C18H25N3OS

M.W.:
331.49

Type:
---

AlogP:
3.12

Polar Surface Area:
35.91

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5291438

Name:
2-(4-(piperidin-1-yl)butyl)-4,4a,5,6-tetrahydrothieno[3,2-h]cinnolin-3(2H)-Show More⌵

Mol. Formula:
C19H27N3OS

M.W.:
345.51

Type:
---

AlogP:
3.51

Polar Surface Area:
35.91

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5285633

Name:
2-(4-(4-benzylpiperazin-1-yl)butyl)-2,4,4a,5,6,7-hexahydro-3H-thieno[3',2':Show More⌵

Mol. Formula:
C26H34N4OS

M.W.:
450.65

Type:
---

AlogP:
4.24

Polar Surface Area:
39.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5270598

Name:
2-[(4-benzylpiperazin-1-yl)methyl]-2H,3H,4H,4aH,5H,6H-thieno[3,2-h]cinnolinShow More⌵

Mol. Formula:
C22H26N4OS

M.W.:
394.54

Type:
---

AlogP:
3.02

Polar Surface Area:
39.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5272474

Name:
2-(4-(dimethylamino)butyl)-4,4a,5,6-tetrahydrothieno[3,2-h]cinnolin-3(2H)-oShow More⌵

Mol. Formula:
C16H23N3OS

M.W.:
305.45

Type:
---

AlogP:
2.59

Polar Surface Area:
35.91

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5272119

Name:
2-(4-(diethylamino)butyl)-4,4a,5,6-tetrahydrothieno[3,2-h]cinnolin-3(2H)-onShow More⌵

Mol. Formula:
C18H27N3OS

M.W.:
333.50

Type:
---

AlogP:
3.37

Polar Surface Area:
35.91

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5283557

Name:
2-(4-((4-benzylpiperazin-1-yl)methyl)benzyl)-4,4a,5,6-tetrahydrothieno[3,2-Show More⌵

Mol. Formula:
C29H32N4OS

M.W.:
484.67

Type:
---

AlogP:
4.76

Polar Surface Area:
39.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5283494

Name:
2-(2-(4-benzylpiperazin-1-yl)ethyl)-4,4a,5,6-tetrahydrothieno[3,2-h]cinnoliShow More⌵

Mol. Formula:
C23H28N4OS

M.W.:
408.57

Type:
---

AlogP:
3.06

Polar Surface Area:
39.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5282788

Name:
2-(4-(4-benzylpiperazin-1-yl)butyl)-2,4,4a,5-tetrahydro-3H-thieno[3',2'-4,5Show More⌵

Mol. Formula:
C24H30N4OS

M.W.:
422.60

Type:
---

AlogP:
3.45

Polar Surface Area:
39.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5196950

Name:
(S)-1-(3-(1-(2-fluorophenylsulfonyl)pyrrolidin-2-yl)propyl)-4-(2-methoxypheShow More⌵

Mol. Formula:
C24H32FN3O3S

M.W.:
461.60

2 activity values

2 unique targets

Type:
---

AlogP:
3.59

Polar Surface Area:
53.09

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5196234

Name:
(S)-1-(4-chlorophenyl)-4-(3-(1-(2-fluorophenylsulfonyl)pyrrolidin-2-yl)propShow More⌵

Mol. Formula:
C23H29ClFN3O2S

M.W.:
466.02

1 activity values

1 unique targets

Type:
---

AlogP:
4.23

Polar Surface Area:
43.86

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5201016

Name:
3-(4-(4-p-tolylpiperazin-1-yl)butyl)indolin-2-one

Mol. Formula:
C23H29N3O

M.W.:
363.51

1 activity values

1 unique targets

Type:
---

AlogP:
4.02

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5219968

Name:
1-(1-(2,6-dimethylphenoxy)-2-ethoxyethyl)-4-(2-methoxyphenyl)piperazine

Mol. Formula:
C23H32N2O3

M.W.:
384.52

3 activity values

3 unique targets

Type:
---

AlogP:
3.88

Polar Surface Area:
34.17

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5219924

Name:
Lurasidone

Mol. Formula:
C28H36N4O2S

M.W.:
492.69

5 activity values

5 unique targets

Type:
---

AlogP:
4.26

Polar Surface Area:
56.75

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5219333

Name:
1-(1-(2-chloro-6-methylphenoxy)-2-ethoxyethyl)-4-(2-methoxyphenyl)piperazinShow More⌵

Mol. Formula:
C22H29ClN2O3

M.W.:
404.94

3 activity values

3 unique targets

Type:
---

AlogP:
4.22

Polar Surface Area:
34.17

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5218527

Name:
3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidin-1-ylsulfonyl)phenol

Mol. Formula:
C18H28N2O3S

M.W.:
352.50

1 activity values

1 unique targets

Type:
---

AlogP:
2.67

Polar Surface Area:
60.85

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5208064

Name:
Methiothiepin

Mol. Formula:
C20H24N2S2

M.W.:
356.56

1 activity values

1 unique targets

Type:
---

AlogP:
4.40

Polar Surface Area:
6.48

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5186652

Name:
2-(4-methoxyphenyl)-1-methyl-3-nitro-1H-pyrrole

Mol. Formula:
C12H12N2O3

M.W.:
232.24

1 activity values

1 unique targets

Type:
---

AlogP:
2.61

Polar Surface Area:
57.30

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5184712

Name:
(S)-1-(4-chlorophenyl)-4-(3-(1-(4-fluorophenylsulfonyl)pyrrolidin-2-yl)propShow More⌵

Mol. Formula:
C23H29ClFN3O2S

M.W.:
466.02

1 activity values

1 unique targets

Type:
---

AlogP:
4.23

Polar Surface Area:
43.86

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS