Compounds

ALA5276321

Name:
3-((3-(morpholinomethyl)-2H-chromen-8-yloxy)methyl)morpholine

Mol. Formula:
C19H26N2O4

M.W.:
346.43

Type:
---

AlogP:
1.16

Polar Surface Area:
52.19

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5086982

Name:
Ajmalicine

Mol. Formula:
C20H22N2O3

M.W.:
338.41

12 activity values

6 unique targets

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
54.56

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3645475

Name:
US8586620, 97

Mol. Formula:
C19H22N4S

M.W.:
338.48

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
57.41

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2093088

Name:
2-(5-Methoxy-1H-indol-3-yl)-1-methyl-ethylamine

Mol. Formula:
C12H16N2O

M.W.:
204.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.07

Polar Surface Area:
51.04

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA2093087

Name:
2-(1H-Indol-3-yl)-1-methyl-ethylamine

Mol. Formula:
C11H14N2

M.W.:
174.25

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.06

Polar Surface Area:
41.81

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

(2R)-1-(1H-indol-3-yl)propan-2-amine

Name:
2-(1H-Indol-3-yl)-1-methyl-ethylamine

Mol. Formula:
C11H14N2

M.W.:
174.25

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.06

Polar Surface Area:
41.81

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA1788284

Name:
3-(2-Amino-propyl)-1H-indol-4-ol

Mol. Formula:
C11H14N2O

M.W.:
190.25

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.76

Polar Surface Area:
62.04

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1788282

Name:
2-(6-Methoxy-1H-indol-3-yl)-1-methyl-ethylamine

Mol. Formula:
C12H16N2O

M.W.:
204.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.07

Polar Surface Area:
51.04

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA1788281

Name:
2-(5-Methoxy-1H-indol-3-yl)-1-methyl-ethylamine

Mol. Formula:
C12H16N2O

M.W.:
204.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.07

Polar Surface Area:
51.04

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA1788280

Name:
2-(4-Methoxy-1H-indol-3-yl)-1-methyl-ethylamine

Mol. Formula:
C12H16N2O

M.W.:
204.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.07

Polar Surface Area:
51.04

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA1788239

Name:
3-(2-Amino-propyl)-1H-indol-5-ol

Mol. Formula:
C11H14N2O

M.W.:
190.25

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.76

Polar Surface Area:
62.04

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1744087

Name:
(R)-(+)-2-[[[3-(Morpholinomethyl)-2H-chromen-8-yl]oxy]-methyl]morpholine meShow More⌵

Mol. Formula:
C20H30N2O7S

M.W.:
442.53

39 activity values

16 unique targets

Type:
Small molecule

AlogP:
1.16

Polar Surface Area:
52.19

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA1744074

Name:
3-(2-Amino-propyl)-1H-indol-4-ol

Mol. Formula:
C11H14N2O

M.W.:
190.25

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.76

Polar Surface Area:
62.04

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1744073

Name:
2-(6-Methoxy-1H-indol-3-yl)-1-methyl-ethylamine

Mol. Formula:
C12H16N2O

M.W.:
204.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.07

Polar Surface Area:
51.04

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA1744072

Name:
2-(4-Methoxy-1H-indol-3-yl)-1-methyl-ethylamine

Mol. Formula:
C12H16N2O

M.W.:
204.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.07

Polar Surface Area:
51.04

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA1416204

Name:
3-(2-Amino-propyl)-1H-indol-5-ol

Mol. Formula:
C11H14N2O

M.W.:
190.25

18 activity values

8 unique targets

Type:
Small molecule

AlogP:
1.76

Polar Surface Area:
62.04

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1202783

Name:
(S)-(-)-2-[[[3-(Morpholinomethyl)-2H-chromen-8-yl]oxy]-methyl]morpholine HyShow More⌵

Mol. Formula:
C19H27ClN2O4

M.W.:
382.89

11 activity values

11 unique targets

Type:
Small molecule

AlogP:
1.16

Polar Surface Area:
52.19

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA1201939

Name:
(2R)-1,4-oxazinan-2-ylmethyl 3-(1,4-oxazinan-4-ylmethyl)-2H-8-chromenyl ethShow More⌵

Mol. Formula:
C21H28N2O8

M.W.:
436.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.16

Polar Surface Area:
52.19

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

Vilazodone

Name:
5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1-yl}-benzofuran-2-carboxyShow More⌵

Mol. Formula:
C26H27N5O2

M.W.:
441.54

148 activity values

41 unique targets

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
102.29

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA351530

Name:
9-Trifluoromethyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

Mol. Formula:
C13H15F3N2

M.W.:
256.27

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.43

Polar Surface Area:
15.27

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS