Compounds

Type:
---

AlogP:
8.23

Polar Surface Area:
99.17

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5205566

Name:
3-((2-chlorophenyl)thio)-4-hydroxy-6-phenyl-6-(thiophen-3-yl)-5,6-dihydro-2Show More⌵

Mol. Formula:
C21H15ClO3S2

M.W.:
414.94

Type:
---

AlogP:
6.15

Polar Surface Area:
46.53

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5202219

Name:
5-[(2-chlorophenyl)sulfanyl]-6'-[(3,4-difluorophenyl)amino]-4-hydroxy-2-(thShow More⌵

Mol. Formula:
C26H18ClF2N3O2S2

M.W.:
542.03

Type:
---

AlogP:
7.14

Polar Surface Area:
74.25

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5201671

Name:
3-((2-chlorophenyl)thio)-4-hydroxy-6-(pyridin-2-yl)-6-(thiophen-3-yl)-5,6-dShow More⌵

Mol. Formula:
C20H14ClNO3S2

M.W.:
415.92

Type:
---

AlogP:
5.55

Polar Surface Area:
59.42

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5201115

Name:
5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-[4-(morpholinShow More⌵

Mol. Formula:
C32H27ClFN3O4S

M.W.:
604.10

9 activity values

5 unique targets

Type:
---

AlogP:
6.83

Polar Surface Area:
83.92

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5199516

Name:
Galloflavin

Mol. Formula:
C12H6O8

M.W.:
278.17

Type:
---

AlogP:
0.72

Polar Surface Area:
141.34

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5197729

Name:
(S)-3-((2-chlorophenyl)thio)-6-(3-((4-fluorophenyl)amino)phenyl)-4-hydroxy-Show More⌵

Mol. Formula:
C27H19ClFNO3S2

M.W.:
524.04

Type:
---

AlogP:
8.04

Polar Surface Area:
58.56

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5196929

Name:
5-[(2-chlorophenyl)sulfanyl]-6'-[(3,4-difluorophenyl)amino]-4-hydroxy-2-{6-Show More⌵

Mol. Formula:
C32H28ClF2N5O3S

M.W.:
636.12

Type:
---

AlogP:
7.07

Polar Surface Area:
108.40

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5196641

Name:
3-((2-chlorophenyl)thio)-4-hydroxy-6,6-diphenyl-5,6-dihydro-2H-pyran-2-one

Mol. Formula:
C23H17ClO3S

M.W.:
408.91

Type:
---

AlogP:
6.09

Polar Surface Area:
46.53

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5195100

Name:
3-((2-chlorophenyl)thio)-4-hydroxy-6-phenyl-6-(thiophen-2-yl)-5,6-dihydro-2Show More⌵

Mol. Formula:
C21H15ClO3S2

M.W.:
414.94

Type:
---

AlogP:
6.15

Polar Surface Area:
46.53

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5194727

Name:
rac-N-(3-(5-((2-chlorophenyl)thio)-4-hydroxy-6-oxo-2-(thiophen-3-yl)-3,6-diShow More⌵

Mol. Formula:
C23H18ClNO4S2

M.W.:
471.99

Type:
---

AlogP:
6.11

Polar Surface Area:
75.63

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5194549

Name:
5-[(2-chlorophenyl)sulfanyl]-6'-[(3,4-difluorophenyl)amino]-4-hydroxy-2-(6-Show More⌵

Mol. Formula:
C33H23ClF2N4O3S

M.W.:
629.09

Type:
---

AlogP:
8.27

Polar Surface Area:
96.37

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5192632

Name:
rac-3-((2-chlorophenyl)thio)-4-hydroxy-6-(thiophen-3-yl)-6-(3-((2,2,2-triflShow More⌵

Mol. Formula:
C23H17ClF3NO3S2

M.W.:
511.97

Type:
---

AlogP:
7.13

Polar Surface Area:
58.56

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5191174

Name:
3-((2-chlorophenyl)thio)-4-hydroxy-6-phenyl-6-(pyridin-2-yl)-5,6-dihydro-2HShow More⌵

Mol. Formula:
C22H16ClNO3S

M.W.:
409.89

Type:
---

AlogP:
5.49

Polar Surface Area:
59.42

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5189879

Name:
(S)-5'-((2-chlorophenyl)thio)-6-((3,4-difluorophenyl)amino)-6''-((4-fluoropShow More⌵

Mol. Formula:
C33H23ClF3N5O2S

M.W.:
646.09

Type:
---

AlogP:
8.36

Polar Surface Area:
99.17

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5189798

Name:
3-((2-chlorophenyl)thio)-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydroShow More⌵

Mol. Formula:
C23H17ClO4S

M.W.:
424.91

Type:
---

AlogP:
5.80

Polar Surface Area:
66.76

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5189646

Name:
3-((2-chlorophenyl)thio)-4-hydroxy-6,6-di(pyridin-2-yl)-5,6-dihydro-2H-pyraShow More⌵

Mol. Formula:
C21H15ClN2O3S

M.W.:
410.88

Type:
---

AlogP:
4.88

Polar Surface Area:
72.31

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5188480

Name:
5-[(2-chlorophenyl)sulfanyl]-6'-[(3,4-difluorophenyl)amino]-4-hydroxy-2-[6-Show More⌵

Mol. Formula:
C36H24ClF2N5O3S

M.W.:
680.14

Type:
---

AlogP:
8.82

Polar Surface Area:
109.26

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5187919

Name:
3-((2-chlorophenyl)thio)-4-hydroxy-6,6-di(thiophen-2-yl)-5,6-dihydro-2H-pyrShow More⌵

Mol. Formula:
C19H13ClO3S3

M.W.:
420.96

Type:
---

AlogP:
6.22

Polar Surface Area:
46.53

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5185237

Name:
5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(4-morpholiShow More⌵

Mol. Formula:
C32H28ClFN4O3S

M.W.:
603.12