Compounds

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4581613

Name:
3-(4-methyl-2-(4-(naphthalen-2-yl)phenyl)morpholin-2-yloxy)propane-1-thiol Show More⌵

Mol. Formula:
C24H28BrNO2S

M.W.:
474.46

9 activity values

3 unique targets

Type:
Unknown

AlogP:
4.96

Polar Surface Area:
21.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4568914

Name:
2-(biphenyl-4-yl)-4-methylthiomorpholine hydrobromide

Mol. Formula:
C17H20BrNS

M.W.:
350.33

Type:
Unknown

AlogP:
4.07

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4559092

Name:
3-(4-methyl-2-(4-(naphthalen-2-yl)phenyl)morpholin-2-yloxy)propan-1-ol hydrShow More⌵

Mol. Formula:
C24H28BrNO3

M.W.:
458.40

Type:
Unknown

AlogP:
4.02

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4557628

Name:
2-(biphenyl-4-yl)-4-methylmorpholine hydrobromide

Mol. Formula:
C17H20BrNO

M.W.:
334.26

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4551553

Name:
2-(biphenyl-4-yl)-4-methyloctahydro-2H-benzo[b][1,4]oxazin-2-ol hydrobromidShow More⌵

Mol. Formula:
C21H26BrNO2

M.W.:
404.35

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
32.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4544430

Name:
(5R)-3,4-dihydroxy-5-((4S)-2-((6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)meShow More⌵

Mol. Formula:
C21H26O8

M.W.:
406.43

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
114.68

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4541664

Name:
3-(2-(biphenyl-4-yl)-4-methylmorpholin-2-yloxy)propane-1-thiol hydrobromide

Mol. Formula:
C20H26BrNO2S

M.W.:
424.40

5 activity values

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
21.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4533669

Name:
3-(biphenyl-4-yl)octahydropyrido[2,1-c][1,4]oxazin-3-ol hydrobromide

Mol. Formula:
C20H24BrNO2

M.W.:
390.32

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
32.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4532953

Name:
5-(1,2-dithiolan-3-yl)-N-(2-(5-methoxy-1H-indol-3-yl)ethyl)pentanamide

Mol. Formula:
C19H26N2O2S2

M.W.:
378.56

Type:
Unknown

AlogP:
4.55

Polar Surface Area:
54.12

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4528462

Name:
3-(2-(4-(6-methoxynaphthalen-2-yl)phenyl)-4-methylmorpholin-2-yloxy)propyl Show More⌵

Mol. Formula:
C25H29BrN2O6

M.W.:
533.42

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
83.30

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4513742

Name:
2-(biphenyl-4-yl)-4-methyloctahydro-2H-benzo[b][1,4]oxazine hydrobromide

Mol. Formula:
C21H26BrNO

M.W.:
388.35

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4470186

Name:
3-(4-methyl-2-(4-(naphthalen-2-yl)phenyl)morpholin-2-yloxy)propyl nitrate hShow More⌵

Mol. Formula:
C24H27BrN2O5

M.W.:
503.39

Type:
Unknown

AlogP:
4.24

Polar Surface Area:
74.07

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4467611

Name:
3-(2-(4-(6-methoxynaphthalen-2-yl)phenyl)-4-methylmorpholin-2-yloxy)propan-Show More⌵

Mol. Formula:
C25H30BrNO4

M.W.:
488.42

Type:
Unknown

AlogP:
4.03

Polar Surface Area:
51.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4465470

Name:
3-(2-(4-(6-methoxynaphthalen-2-yl)phenyl)-4-methylmorpholin-2-yloxy)propaneShow More⌵

Mol. Formula:
C25H30BrNO3S

M.W.:
504.49

5 activity values

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
30.93

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4463303

Name:
N-(2-(1-isopropyl-5-methoxy-1H-indol-3-yl)ethyl)propionamide

Mol. Formula:
C17H24N2O2

M.W.:
288.39

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
43.26

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4461877

Name:
N-(2-(5-methoxy-1H-indol-3-yl)ethyl)-6,6,7,7-tetramethyl-5,6,7,8-tetrahydroShow More⌵

Mol. Formula:
C26H32N2O2

M.W.:
404.55

Type:
Unknown

AlogP:
5.30

Polar Surface Area:
54.12

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4459182

Name:
3-(2-(biphenyl-4-yl)-4-methylmorpholin-2-yloxy)propan-1-ol hydrobromide

Mol. Formula:
C20H26BrNO3

M.W.:
408.34

Type:
Unknown

AlogP:
2.87

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4458971

Name:
2-(biphenyl-4-yl)-4-methyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazine Show More⌵

Mol. Formula:
C21H24BrNO

M.W.:
386.33

Type:
Unknown

AlogP:
4.93

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4454585

Name:
2-(biphenyl-4-yl)-4-methylmorpholin-2-ol hydrobromide

Mol. Formula:
C17H20BrNO2

M.W.:
350.26