Compounds

ALA151328

Name:
2-Allyl-8-methoxy-3-thioxo-2,3-dihydro-imidazo[1,5-a]indol-1-one

Mol. Formula:
C14H12N2O2S

M.W.:
272.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.42

Polar Surface Area:
34.47

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA346212

Name:
2-Allyl-7-chloro-3-thioxo-2,3-dihydro-imidazo[1,5-a]indol-1-one

Mol. Formula:
C13H9ClN2OS

M.W.:
276.75

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
25.24

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA151359

Name:
2-Allyl-7-benzyloxy-3-thioxo-2,3-dihydro-imidazo[1,5-a]indol-1-one

Mol. Formula:
C20H16N2O2S

M.W.:
348.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
34.47

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA150870

Name:
2-Allyl-6-methoxy-3-thioxo-2,3-dihydro-imidazo[1,5-a]indol-1-one

Mol. Formula:
C14H12N2O2S

M.W.:
272.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.42

Polar Surface Area:
34.47

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA151224

Name:
2-Allyl-6,8-dimethoxy-imidazo[1,5-a]indole-1,3-dione

Mol. Formula:
C15H14N2O4

M.W.:
286.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
60.77

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA356906

Name:
1,3-Diethyl-5-(4-nitro-thiophen-2-ylmethylene)-2-thioxo-dihydro-pyrimidine-Show More⌵

Mol. Formula:
C13H13N3O4S2

M.W.:
339.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
83.76

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA150651

Name:
1,3-Diethyl-5-(3-methyl-thiophen-2-ylmethylene)-2-thioxo-dihydro-pyrimidineShow More⌵

Mol. Formula:
C14H16N2O2S2

M.W.:
308.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.44

Polar Surface Area:
40.62

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA348675

Name:
2-Ethyl-3-thioxo-2,3-dihydro-imidazo[1,5-a]indol-1-one

Mol. Formula:
C12H10N2OS

M.W.:
230.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.25

Polar Surface Area:
25.24

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.70

DETAILS

ALA356425

Name:
2-Allyl-6,7-dimethoxy-3-thioxo-2,3-dihydro-imidazo[1,5-a]indol-1-one

Mol. Formula:
C15H14N2O3S

M.W.:
302.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.43

Polar Surface Area:
43.70

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA357328

Name:
3-[5-(4,6-Dioxo-1,3-diphenyl-2-thioxo-tetrahydro-pyrimidin-5-ylidenemethyl)Show More⌵

Mol. Formula:
C27H18N2O5S2

M.W.:
514.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.54

Polar Surface Area:
80.06

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA357092

Name:
3-Ethyl-5-[1-[5-(2-methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-thiophen-2-yl]Show More⌵

Mol. Formula:
C15H12F3N3OS3

M.W.:
403.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
38.13

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA356830

Name:
2-Allyl-6,8-dimethoxy-3-thioxo-2,3-dihydro-imidazo[1,5-a]indol-1-one

Mol. Formula:
C15H14N2O3S

M.W.:
302.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.43

Polar Surface Area:
43.70

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA155504

Name:
5-(1H-Indol-3-ylmethylene)-1,3-dimethyl-2-thioxo-dihydro-pyrimidine-4,6-dioShow More⌵

Mol. Formula:
C15H13N3O2S

M.W.:
299.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.77

Polar Surface Area:
56.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.50

DETAILS

ALA357999

Name:
1,3-Diethyl-5-(5-nitro-1H-indol-3-ylmethylene)-2-thioxo-dihydro-pyrimidine-Show More⌵

Mol. Formula:
C17H16N4O4S

M.W.:
372.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.46

Polar Surface Area:
99.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA359348

Name:
1,3-Diethyl-5-(7-methyl-1H-indol-3-ylmethylene)-2-thioxo-dihydro-pyrimidineShow More⌵

Mol. Formula:
C18H19N3O2S

M.W.:
341.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
56.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA150992

Name:
5-(5-Benzyloxy-1H-indol-3-ylmethylene)-1,3-diethyl-2-thioxo-dihydro-pyrimidShow More⌵

Mol. Formula:
C24H23N3O3S

M.W.:
433.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
65.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA151153

Name:
1,3-Diethyl-2-thioxo-5-[5-(2-trifluoromethyl-phenyl)-furan-2-ylmethylene]-dShow More⌵

Mol. Formula:
C20H17F3N2O3S

M.W.:
422.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
53.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA356815

Name:
1,3-Diphenyl-2-thioxo-5-[5-(2-trifluoromethyl-phenyl)-furan-2-ylmethylene]-Show More⌵

Mol. Formula:
C28H17F3N2O3S

M.W.:
518.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.71

Polar Surface Area:
53.76

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA150886

Name:
3-{5-[3-Ethyl-4-oxo-2-thioxo-thiazolidin-(5Z)-ylidenemethyl]-furan-2-yl}-thShow More⌵

Mol. Formula:
C16H13NO4S3

M.W.:
379.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
59.75

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA149465

Name:
3-[5-(1,3-Diethyl-4,6-dioxo-2-thioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-Show More⌵

Mol. Formula:
C19H18N2O5S2

M.W.:
418.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
80.06

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS