Compounds

ALA1673330

Name:
ethyl 2,5-dimethyl-6-(5-phenyl-4H-1,2,4-triazol-3-ylthio)pyrimidine-4-carboShow More⌵

Mol. Formula:
C17H17N5O2S

M.W.:
355.42

12 activity values

11 unique targets

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
93.65

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1673329

Name:
N'-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)thiophene-2-carbohydrazide

Mol. Formula:
C15H16N4OS2

M.W.:
332.45

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
66.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA1673328

Name:
3-((4-fluorophenylsulfonyl)methyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole

Mol. Formula:
C13H9FN2O3S2

M.W.:
324.36

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
73.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1673327

Name:
2-(2-(4-chlorophenyl)-2-oxoethylthio)-6-(dimethoxymethyl)nicotinonitrile

Mol. Formula:
C17H15ClN2O3S

M.W.:
362.84

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
72.21

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA1673326

Name:
3-allyl-7-(5-(furan-2-yl)-1,3,4-oxadiazol-2-ylthio)thiazolo[4,5-d]pyrimidinShow More⌵

Mol. Formula:
C14H9N5O2S3

M.W.:
375.46

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
82.77

HBA:
10

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA1673325

Name:
2-((2-(thiophen-2-yl)thiazol-4-yl)methyl)isoindoline-1,3-dione

Mol. Formula:
C16H10N2O2S2

M.W.:
326.40

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
50.27

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1673324

Name:
2-((4-(1,3-dithiolan-2-yl)phenoxy)methyl)thiazole-4-carbohydrazide

Mol. Formula:
C14H15N3O2S3

M.W.:
353.49

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
77.24

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1673323

Name:
2-(indolin-1-yl)-N-(5-(thiophen-2-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl)aceShow More⌵

Mol. Formula:
C16H14N4OS2

M.W.:
342.45

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
58.12

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1673322

Name:
N-(2-chlorophenyl)-2-(7-chloroquinazolin-4-yloxy)acetamide

Mol. Formula:
C16H11Cl2N3O2

M.W.:
348.19

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
64.11

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1673321

Name:
2-((furan-2-ylmethylsulfonyl)methyl)-4-phenylthiazole

Mol. Formula:
C15H13NO3S2

M.W.:
319.41

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
60.17

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA1673318

Name:
N-((2-(thiophen-2-yl)thiazol-4-yl)methyl)-2H-chromene-3-carboxamide

Mol. Formula:
C18H14N2O2S2

M.W.:
354.46

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
51.22

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA1673317

Name:
S-furan-2-ylmethyl 2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)thiazole-4-carbotShow More⌵

Mol. Formula:
C17H13NO4S2

M.W.:
359.43

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
61.56

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS