Compounds

Type:
Small molecule

AlogP:
5.06

Polar Surface Area:
136.68

HBA:
7

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA1668410

Name:
(R)-3-(methyl((S)-1,2,3,4-tetrahydronaphthalen-2-yl)amino)-2,3-dihydro-1H-iShow More⌵

Mol. Formula:
C20H21NO

M.W.:
291.39

11 activity values

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1668409

Name:
(S)-3-(methyl((S)-1,2,3,4-tetrahydronaphthalen-2-yl)amino)-2,3-dihydro-1H-iShow More⌵

Mol. Formula:
C20H21NO

M.W.:
291.39

11 activity values

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1668408

Name:
(S)-3-(methyl((R)-1,2,3,4-tetrahydronaphthalen-2-yl)amino)-2,3-dihydro-1H-iShow More⌵

Mol. Formula:
C20H21NO

M.W.:
291.39

12 activity values

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1668407

Name:
(R)-3-(methyl((R)-1,2,3,4-tetrahydronaphthalen-2-yl)amino)-2,3-dihydro-1H-iShow More⌵

Mol. Formula:
C20H21NO

M.W.:
291.39

11 activity values

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA584001

Name:
3-[Methyl(1,2,3,4-tetrahydro-2-naphthalenyl)amino]-1-indanone

Mol. Formula:
C20H21NO

M.W.:
291.39

4 activity values

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA575961

Name:
7-Methoxy-3-[methyl-(1,2,3,4-tetrahydro-naphthalen-1-yl)-amino]-indan-1-one

Mol. Formula:
C21H23NO2

M.W.:
321.42

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA575750

Name:
5-Methoxy-3-[methyl-(1,2,3,4-tetrahydro-naphthalen-1-yl)-amino]-indan-1-one

Mol. Formula:
C21H23NO2

M.W.:
321.42

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA583798

Name:
3-[(7-Methoxy-1,2,3,4-tetrahydro-1-naphthalenyl)(methyl)amino]-1-indanone

Mol. Formula:
C21H23NO2

M.W.:
321.42

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA575749

Name:
3-[3,4-Dihydro-2H-4-chromenyl(methyl)amino]-1-indanone

Mol. Formula:
C19H19NO2

M.W.:
293.37

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA567177

Name:
N-Methyl-N,N-di(1,2,3,4-tetrahydro-1-naphthalenyl)amine

Mol. Formula:
C21H25N

M.W.:
291.44

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA583708

Name:
4-[Methyl(1,2,3,4-tetrahydro-1-naphthalenyl)amino]-1,2,3,4-tetrahydro-1-napShow More⌵

Mol. Formula:
C21H23NO

M.W.:
305.42

6 activity values

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA583797

Name:
4-[2,3-Dihydro-1H-1-indenyl(methyl)amino]-1,2,3,4-tetrahydro-1-naphthalenonShow More⌵

Mol. Formula:
C20H21NO

M.W.:
291.39

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA575543

Name:
4-[Methyl(3-oxo-2,3-dihydro-1H-1-indenyl)amino]-1,2,3,4-tetrahydro-1-naphthShow More⌵

Mol. Formula:
C20H19NO2

M.W.:
305.38

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
37.38

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA575542

Name:
N1-(3-Oxo-2,3-dihydro-1H-1-indenyl)-N1-(1,2,3,4-tetrahydro-1-naphthalenyl)aShow More⌵

Mol. Formula:
C21H21NO2

M.W.:
319.40

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
37.38

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA568699

Name:
3-[Allyl(1,2,3,4-tetrahydro-1-naphthalenyl)amino]-1-indanone

Mol. Formula:
C22H23NO

M.W.:
317.43

Type:
Small molecule

AlogP:
4.88

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA578254

Name:
3-[1,2,3,4-Tetrahydro-2-naphthalenyl(3,4,5-trimethoxybenzyl)amino]-1-indanoShow More⌵

Mol. Formula:
C29H31NO4

M.W.:
457.57

Type:
Small molecule

AlogP:
5.40

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA566084

Name:
3-[Methyl(1,2,3,4-tetrahydro-1-naphthalenyl)amino]-1-indanone

Mol. Formula:
C20H21NO

M.W.:
291.39

7 activity values

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA578032

Name:
3-[(4-Methylbenzyl)(1,2,3,4-tetrahydro-2-naphthalenyl)amino]-1-indanone

Mol. Formula:
C27H27NO

M.W.:
381.52

Type:
Small molecule

AlogP:
5.68

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA575554

Name:
3-[Benzyl(1,2,3,4-tetrahydro-2-naphthalenyl)amino]-1-indanone

Mol. Formula:
C26H25NO

M.W.:
367.49