Compounds

Type:
---

AlogP:
4.03

Polar Surface Area:
80.12

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5209860

Name:
3-(3-(2-methoxyphenyl)-4-oxothiazolidin-2-yl)-5-methyl-N-(4-phenylbutyl)benShow More⌵

Mol. Formula:
C28H30N2O3S

M.W.:
474.63

Type:
---

AlogP:
5.53

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5208944

Name:
3-(3-(4-(tert-butyl)isoxazol-3-yl)-4-oxothiazolidin-2-yl)-N-(4-phenylbutyl)Show More⌵

Mol. Formula:
C27H31N3O3S

M.W.:
477.63

Type:
---

AlogP:
5.50

Polar Surface Area:
75.44

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5208070

Name:
3-(3-(4-cyclopropylphenyl)-5-methyl-4-oxothiazolidin-2-yl)-N-(4-phenylbutylShow More⌵

Mol. Formula:
C30H32N2O2S

M.W.:
484.67

3 unique targets

Type:
---

AlogP:
6.48

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5207409

Name:
3-(3-(2-fluorophenyl)-4-oxothiazolidin-2-yl)-N-(4-phenylbutyl)benzamide

Mol. Formula:
C26H25FN2O2S

M.W.:
448.56

13 activity values

8 unique targets

Type:
---

AlogP:
5.36

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5206219

Name:
3-(3-(3-fluoro-2-methoxyphenyl)-4-oxothiazolidin-2-yl)-N-(4-phenylbutyl)benShow More⌵

Mol. Formula:
C27H27FN2O3S

M.W.:
478.59

6 unique targets

Type:
---

AlogP:
5.37

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5205833

Name:
3-(3-(4-cyclopropylphenyl)-4-oxothiazolidin-2-yl)-N-(3-phenylpropyl)benzamiShow More⌵

Mol. Formula:
C28H28N2O2S

M.W.:
456.61

Type:
---

AlogP:
5.71

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5204793

Name:
3-(3-(4-fluoropyridin-2-yl)-4-oxothiazolidin-2-yl)-N-(4-(1H-pyrazol-1-yl)buShow More⌵

Mol. Formula:
C22H22FN5O2S

M.W.:
439.52

3 unique targets

Type:
---

AlogP:
3.41

Polar Surface Area:
80.12

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5204365

Name:
3-(3-(3-fluorophenyl)-4-oxothiazolidin-2-yl)-N-(4-phenylbutyl)benzamide

Mol. Formula:
C26H25FN2O2S

M.W.:
448.56

13 activity values

8 unique targets

Type:
---

AlogP:
5.36

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5204321

Name:
3-(3-(3-cyclopropylphenyl)-5-methyl-4-oxothiazolidin-2-yl)-N-(4-(4-chlorophShow More⌵

Mol. Formula:
C30H31ClN2O2S

M.W.:
519.11

Type:
---

AlogP:
7.14

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5204316

Name:
3-(4-Oxo-3-phenylthiazolidin-2-yl)-N-(4-phenylbutyl)benzamide

Mol. Formula:
C26H26N2O2S

M.W.:
430.57

6 unique targets

Type:
---

AlogP:
5.22

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5203662

Name:
3-Fluoro-5-(4-oxo-3-(pyridin-2-yl)thiazolidin-2-yl)-N-(4-phenylbutyl)benzamShow More⌵

Mol. Formula:
C25H24FN3O2S

M.W.:
449.55

Type:
---

AlogP:
4.75

Polar Surface Area:
62.30

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5202696

Name:
tert-butyl 4-(4-(3-(3-(2-methoxyphenyl)-4-oxothiazolidin-2-yl)benzamido)butShow More⌵

Mol. Formula:
C30H40N4O5S

M.W.:
568.74

Type:
---

AlogP:
4.54

Polar Surface Area:
91.42

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5201711

Name:
3-(3-(4-(diethylamino)phenyl)-4-oxothiazolidin-2-yl)-N-(4-phenylbutyl)benzaShow More⌵

Mol. Formula:
C30H35N3O2S

M.W.:
501.70

Type:
---

AlogP:
6.06

Polar Surface Area:
52.65

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5200417

Name:
3-(3-(5-fluoro-2-methoxyphenyl)-4-oxothiazolidin-2-yl)-N-(4-phenylbutyl)benShow More⌵

Mol. Formula:
C27H27FN2O3S

M.W.:
478.59

13 activity values

8 unique targets

Type:
---

AlogP:
5.37

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5199319

Name:
3-(3-(2-methoxyphenyl)-4-oxothiazolidin-2-yl)-N-(4-(4-chlorophenyl)butyl)beShow More⌵

Mol. Formula:
C27H27ClN2O3S

M.W.:
495.04

Type:
---

AlogP:
5.88

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5197880

Name:
3-(3-(2-methoxy-5-methylphenyl)-4-oxothiazolidin-2-yl)-N-(4-phenylbutyl)benShow More⌵

Mol. Formula:
C28H30N2O3S

M.W.:
474.63

6 unique targets

Type:
---

AlogP:
5.53

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5197496

Name:
3-(3-(2-methoxyphenyl)-4-oxothiazolidin-2-yl)-N-(4-(2,5-dioxo-2,5-dihydro-1Show More⌵

Mol. Formula:
C25H25N3O5S

M.W.:
479.56

Type:
---

AlogP:
2.91

Polar Surface Area:
96.02

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5194610

Name:
3-(3-(4-cyclopropylphenyl)-4-oxothiazolidin-2-yl)-N-(4-phenylbutyl)benzamidShow More⌵

Mol. Formula:
C29H30N2O2S

M.W.:
470.64

3 unique targets

Type:
---

AlogP:
6.10

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5194124

Name:
3-(3-(2-methoxyphenyl)-4-oxothiazolidin-2-yl)-N-(4-(thiophen-2-yl)butyl)benShow More⌵

Mol. Formula:
C25H26N2O3S2

M.W.:
466.63