Compounds

ALA4647754

Name:
5-Chloro-3-methyl-N-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-1H-indole-2-caShow More⌵

Mol. Formula:
C18H20ClN3O2S

M.W.:
377.90

4 activity values

2 unique targets

Type:
Unknown

AlogP:
4.01

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4645759

Name:
5-Chloro-N-(8-ethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-methyl-1H-indShow More⌵

Mol. Formula:
C20H24ClN3O2S

M.W.:
405.95

4 activity values

2 unique targets

Type:
Unknown

AlogP:
4.65

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4644513

Name:
5-Chloro-3-methyl-N-(8-phenyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-1H-inShow More⌵

Mol. Formula:
C24H24ClN3O2S

M.W.:
454.00

4 activity values

2 unique targets

Type:
Unknown

AlogP:
5.40

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4644053

Name:
5-Chloro-3-methyl-N-(8-propyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-1H-inShow More⌵

Mol. Formula:
C21H26ClN3O2S

M.W.:
419.98

4 activity values

2 unique targets

Type:
Unknown

AlogP:
5.04

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4642582

Name:
5-Chloro-3-methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)-1H-indole-2-caShow More⌵

Mol. Formula:
C17H18ClN3O2S

M.W.:
363.87

4 activity values

2 unique targets

Type:
Unknown

AlogP:
3.62

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4641059

Name:
5-Chloro-3-methyl-N-(8-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-1H-inShow More⌵

Mol. Formula:
C19H22ClN3O2S

M.W.:
391.92

4 activity values

2 unique targets

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4640748

Name:
N-(8-tert-butyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-5-chloro-3-methyl-1Show More⌵

Mol. Formula:
C22H28ClN3O2S

M.W.:
434.01

4 activity values

2 unique targets

Type:
Unknown

AlogP:
5.28

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4640341

Name:
5-Chloro-3-methyl-N-(2-methyl-8-propyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-Show More⌵

Mol. Formula:
C22H28ClN3O2S

M.W.:
434.01

4 activity values

2 unique targets

Type:
Unknown

AlogP:
5.43

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4639959

Name:
5-Chloro-3-methyl-N-(7-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-1H-inShow More⌵

Mol. Formula:
C19H22ClN3O2S

M.W.:
391.92

4 activity values

2 unique targets

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4639120

Name:
5-Chloro-3-methyl-N-(2,7,7,9-tetramethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-Show More⌵

Mol. Formula:
C22H28ClN3O2S

M.W.:
434.01

4 activity values

2 unique targets

Type:
Unknown

AlogP:
5.28

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4638697

Name:
5-Chloro-3-methyl-N-(7,7,9-trimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-ylShow More⌵

Mol. Formula:
C21H26ClN3O2S

M.W.:
419.98

4 activity values

2 unique targets

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4636638

Name:
N-(2-methyl-8-tert-butyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-5-chloro-3Show More⌵

Mol. Formula:
C23H30ClN3O2S

M.W.:
448.03

4 activity values

2 unique targets

Type:
Unknown

AlogP:
5.67

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4636287

Name:
5-Chloro-3-methyl-N-(6-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-1H-inShow More⌵

Mol. Formula:
C19H22ClN3O2S

M.W.:
391.92

4 activity values

2 unique targets

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4634452

Name:
5-Chloro-3-methyl-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)-1H-inShow More⌵

Mol. Formula:
C18H20ClN3O2S

M.W.:
377.90

4 activity values

2 unique targets

Type:
Unknown

AlogP:
4.01

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4632889

Name:
5-Chloro-3-methyl-N-(2-methyl-8-phenyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-Show More⌵

Mol. Formula:
C25H26ClN3O2S

M.W.:
468.02

4 activity values

2 unique targets

Type:
Unknown

AlogP:
5.79

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4632466

Name:
N-(2,6-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-5-chloro-3-methyl-1Show More⌵

Mol. Formula:
C20H24ClN3O2S

M.W.:
405.95

4 activity values

2 unique targets

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4288410

Name:
3-O-beta-D-Xylopyranosyl-(1->2)-beta-D-glucopyranosyl-27-hydroxyalphitolic Show More⌵

Mol. Formula:
C41H66O14

M.W.:
782.97

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.32

Polar Surface Area:
236.06

HBA:
13

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4284973

Name:
3-O-beta-D-Glucopyranosyl-(1->2)-beta-D-glucopyranosyl-27-hydroxyalphitolicShow More⌵

Mol. Formula:
C42H68O15

M.W.:
812.99

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.68

Polar Surface Area:
256.29

HBA:
14

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4281234

Name:
3-O-beta-D-Xylopyranosyl-(1->2)-[alpha-L-rhamnopyranosyl-(1->4)]-beta-D-gluShow More⌵

Mol. Formula:
C47H76O17

M.W.:
913.11

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.20

Polar Surface Area:
274.75

HBA:
16

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4280497

Name:
3-O-beta-D-Xylopyranosyl-(1->2)-[alpha-L-rhamnopyranosyl-(1->4)]-beta-DglucShow More⌵

Mol. Formula:
C47H76O17

M.W.:
913.11

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.34

Polar Surface Area:
274.75

HBA:
16

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.12

DETAILS