Compounds

ALA5208877

Name:
N-(4-Methyl-3-(4'-oxo-2,3,5,6-tetrahydrospiro[pyran-4,2'-thiochroman]-7'-ylShow More⌵

Mol. Formula:
C27H23F3N2O3S

M.W.:
512.55

2 activity values

2 unique targets

Type:
---

AlogP:
6.56

Polar Surface Area:
68.29

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5207072

Name:
N-(3-(4-Amino-2',3',5',6'-tetrahydrospiro[chroman-2,4'-pyran]-7-yl)-4-methyShow More⌵

Mol. Formula:
C27H26F3N3O3

M.W.:
497.52

2 activity values

2 unique targets

Type:
---

AlogP:
5.66

Polar Surface Area:
86.47

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5206780

Name:
N-(4-Methyl-3-(4-oxo-2',3',5',6'-tetrahydrospiro[chromane-2,4'-pyran]-7-yl)Show More⌵

Mol. Formula:
C27H23F3N2O4

M.W.:
496.49

19 activity values

11 unique targets

Type:
---

AlogP:
5.84

Polar Surface Area:
77.52

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5206706

Name:
1-[5-tert-butyl-2-(6-quinolyl)pyrazol-3-yl]-3-[4-(7-quinolyloxy)phenyl]urea

Mol. Formula:
C32H28N6O2

M.W.:
528.62

6 activity values

5 unique targets

Type:
---

AlogP:
7.70

Polar Surface Area:
93.96

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5206492

Name:
N-(3-(4-((2-Hydroxyethyl)amino)-2',3',5',6'-tetrahydrospiro[chroman-2,4'-pyShow More⌵

Mol. Formula:
C29H30F3N3O4

M.W.:
541.57

2 activity values

2 unique targets

Type:
---

AlogP:
5.28

Polar Surface Area:
92.71

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5206031

Name:
(3S)-N-(3-(6-(2-(4-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)piShow More⌵

Mol. Formula:
C42H47F3N8O7

M.W.:
832.88

2 activity values

1 unique targets

Type:
---

AlogP:
4.30

Polar Surface Area:
156.96

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5204719

Name:
(3S)-N-(6'-(2-(4-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)pipeShow More⌵

Mol. Formula:
C41H46F3N9O7

M.W.:
833.87

2 activity values

1 unique targets

Type:
---

AlogP:
3.70

Polar Surface Area:
169.85

HBA:
12

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5203405

Name:
1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(7-quShow More⌵

Mol. Formula:
C29H28F3N5O2

M.W.:
535.57

10 activity values

9 unique targets

Type:
---

AlogP:
6.44

Polar Surface Area:
69.73

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5202806

Name:
N-(4-Methyl-3-(3-oxo-2',3,3',4,5',6'-hexahydrospiro[benzo[b][1,4]oxazine-2,Show More⌵

Mol. Formula:
C26H22F3N3O4

M.W.:
497.47

2 activity values

2 unique targets

Type:
---

AlogP:
5.21

Polar Surface Area:
89.55

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5200232

Name:
N-(4-Methyl-3-(4-oxo-2',3,3',4,5',6'-hexahydrospiro[benzo[e][1,3]oxazine-2,Show More⌵

Mol. Formula:
C26H22F3N3O3S

M.W.:
513.54

2 activity values

2 unique targets

Type:
---

AlogP:
5.67

Polar Surface Area:
80.32

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5197196

Name:
N-(3-(1,1-Dioxido-2',3',5',6'-tetrahydro-2H,4H-spiro[benzo[e][1,2,4]thiadiaShow More⌵

Mol. Formula:
C25H23F3N4O4S

M.W.:
532.54

2 activity values

2 unique targets

Type:
---

AlogP:
4.54

Polar Surface Area:
109.42

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5194797

Name:
N-(4-Methyl-3-(4-oxo-3,4,5',6'-tetrahydro-2'H,4'H-spiro[benzo[e][1,3]oxazinShow More⌵

Mol. Formula:
C26H22F3N3O4

M.W.:
497.47

2 activity values

2 unique targets

Type:
---

AlogP:
4.96

Polar Surface Area:
89.55

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5187431

Name:
N-(4-Methyl-3-(4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,3'-oxetan]-7-yShow More⌵

Mol. Formula:
C24H18F3N3O4

M.W.:
469.42

2 activity values

2 unique targets

Type:
---

AlogP:
4.18

Polar Surface Area:
89.55

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5186258

Name:
N-(4-Methyl-3-(4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-Show More⌵

Mol. Formula:
C26H23F3N4O3

M.W.:
496.49

2 activity values

2 unique targets

Type:
---

AlogP:
4.53

Polar Surface Area:
92.35

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5181592

Name:
N-(4-Methyl-3-(4'-oxo-2,3,3',4',5,6-hexahydrospiro[pyran-4,2'-pyrido[2,3-e]Show More⌵

Mol. Formula:
C25H21F3N4O4

M.W.:
498.46

2 activity values

2 unique targets

Type:
---

AlogP:
4.35

Polar Surface Area:
102.44

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5180258

Name:
N-(4-Methyl-3-(2',3',5',6'-tetrahydrospiro[chroman-2,4'-pyran]-7-yl)phenyl)Show More⌵

Mol. Formula:
C27H25F3N2O3

M.W.:
482.50

2 activity values

2 unique targets

Type:
---

AlogP:
6.20

Polar Surface Area:
60.45

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5179150

Name:
N-(4-Methyl-3-(4-oxo-3,4,4',5'-tetrahydro-2'H-spiro[benzo[e][1,3]oxazine-2,Show More⌵

Mol. Formula:
C25H20F3N3O4

M.W.:
483.45

2 activity values

2 unique targets

Type:
---

AlogP:
4.57

Polar Surface Area:
89.55

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5178194

Name:
N-(3-(4-Hydroxy-2',3',5',6'-tetrahydrospiro[chroman-2,4'-pyran]-7-yl)-4-metShow More⌵

Mol. Formula:
C27H25F3N2O4

M.W.:
498.50

2 activity values

2 unique targets

Type:
---

AlogP:
5.69

Polar Surface Area:
80.68

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5177739

Name:
N-(4-Methyl-3-(4-oxo-2',3,3',4,5',6'-hexahydrospiro[benzo[e][1,3]oxazine-2,Show More⌵

Mol. Formula:
C26H22F3N3O4

M.W.:
497.47

46 activity values

14 unique targets

Type:
---

AlogP:
4.96

Polar Surface Area:
89.55

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5177673

Name:
1-[5-tert-butyl-2-(6-quinolyl)pyrazol-3-yl]-3-[4-(6-quinolyloxy)phenyl]urea

Mol. Formula:
C32H28N6O2

M.W.:
528.62

21 activity values

17 unique targets

Type:
---

AlogP:
7.70

Polar Surface Area:
93.96

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS