Compounds

Type:
---

AlogP:
7.66

Polar Surface Area:
107.44

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5180448

Name:
2-amino-7-(4-(3-phenylpropyl)phenyl)-3-((5-phenyltetrahydrofuran-2-yl)methyShow More⌵

Mol. Formula:
C34H33N3O2

M.W.:
515.66

Type:
---

AlogP:
6.74

Polar Surface Area:
70.14

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4590673

Name:
3-(4-butylphenyl)sulfonyl-N-(2-naphthylmethyl)-7-azabicyclo[2.2.1]heptan-2-Show More⌵

Mol. Formula:
C27H32N2O2S

M.W.:
448.63

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
58.20

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4587814

Name:
N-(1-benzylpiperidin-4-yl)-N-((4'-cyanobiphenyl-4-yl)methyl)-4-pentylbenzamShow More⌵

Mol. Formula:
C38H41N3O

M.W.:
555.77

Type:
Unknown

AlogP:
8.26

Polar Surface Area:
47.34

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4585928

Name:
N,N-diethyl-2-(5-(4'-methoxybiphenyl-4-yl)-1-(4-pentylphenyl)-1H-1,2,3-triaShow More⌵

Mol. Formula:
C32H40N4O

M.W.:
496.70

Type:
Unknown

AlogP:
7.23

Polar Surface Area:
43.18

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4585628

Name:
3-(4-heptylphenyl)sulfonyl-N-(2-naphthylmethyl)-7-azabicyclo[2.2.1]heptan-2Show More⌵

Mol. Formula:
C30H38N2O2S

M.W.:
490.71

Type:
Unknown

AlogP:
5.79

Polar Surface Area:
58.20

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4582671

Name:
3-acetyl-7-(4-(2-(2-chlorophenoxy)ethyl)phenyl)-N-methyl-N-phenethyl-3,9-diShow More⌵

Mol. Formula:
C33H36ClN3O3

M.W.:
558.12

Type:
Unknown

AlogP:
5.01

Polar Surface Area:
61.88

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4581955

Name:
2-(2-(4-(3-(naphthalen-2-ylmethoxy)-7-azabicyclo[2.2.1]heptan-2-yloxy)phenoShow More⌵

Mol. Formula:
C32H30N2O3S2

M.W.:
554.74

4 activity values

4 unique targets

Type:
Unknown

AlogP:
7.09

Polar Surface Area:
52.61

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4581864

Name:
2-(dipentylamino)-1-(1,2,3,4-tetrahydrophenanthren-9-yl)ethanol

Mol. Formula:
C26H39NO

M.W.:
381.60

Type:
Unknown

AlogP:
6.43

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4580808

Name:
5-chloro-2-(4-chloro-2-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxShow More⌵

Mol. Formula:
C20H12Cl3F3N2O5S

M.W.:
555.75

Type:
Unknown

AlogP:
7.35

Polar Surface Area:
104.73

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4578117

Name:
N-(2-naphthylmethyl)-3-(4-octylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptan-2-Show More⌵

Mol. Formula:
C31H40N2O2S

M.W.:
504.74

Type:
Unknown

AlogP:
6.18

Polar Surface Area:
58.20

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4576880

Name:
N-(1-benzylpiperidin-4-yl)-N-(biphenyl-4-ylmethyl)-4-pentylbenzamide

Mol. Formula:
C37H42N2O

M.W.:
530.76

Type:
Unknown

AlogP:
8.39

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4574509

Name:
3-acetyl-7-(4-(2-(2-bromo-5-fluorophenoxy)ethyl)phenyl)-N-methyl-N-phenethyShow More⌵

Mol. Formula:
C33H35BrFN3O3

M.W.:
620.56

Type:
Unknown

AlogP:
5.26

Polar Surface Area:
61.88

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4573790

Name:
3-acetyl-N-methyl-N-phenethyl-7-(4-(2-(3-(trifluoromethoxy)phenoxy)ethyl)phShow More⌵

Mol. Formula:
C34H36F3N3O4

M.W.:
607.67

Type:
Unknown

AlogP:
5.25

Polar Surface Area:
71.11

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4569466

Name:
N-(1-benzylpiperidin-4-yl)-N-(biphenyl-4-ylmethyl)-4-butoxybenzamide

Mol. Formula:
C36H40N2O2

M.W.:
532.73

Type:
Unknown

AlogP:
7.84

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4564399

Name:
2-(1-(2-chloro-4-pentylphenyl)-5-(4'-methoxybiphenyl-4-yl)-1H-1,2,3-triazolShow More⌵

Mol. Formula:
C32H39ClN4O

M.W.:
531.14

Type:
Unknown

AlogP:
7.88

Polar Surface Area:
43.18

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4558605

Name:
2-(diisohexylamino)-1-(1,2,3,4-tetrahydrophenanthren-9-yl)ethanol

Mol. Formula:
C28H43NO

M.W.:
409.66

Type:
Unknown

AlogP:
6.93

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4558109

Name:
3-acetyl-7-(4-(2-(4-tert-butyl-2-methylphenoxy)ethyl)phenyl)-N-methyl-N-pheShow More⌵

Mol. Formula:
C38H47N3O3

M.W.:
593.81

Type:
Unknown

AlogP:
5.96

Polar Surface Area:
61.88

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4556003

Name:
5-((cyclopentylamino)methyl)-N-(naphthalen-2-ylmethyl)-3-(4-pentylphenylsulShow More⌵

Mol. Formula:
C34H45N3O2S

M.W.:
559.82

5 activity values

5 unique targets

Type:
Unknown

AlogP:
5.77

Polar Surface Area:
70.23

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4554580

Name:
N-(2-naphthylmethyl)-3-(4-undecylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptan-Show More⌵

Mol. Formula:
C34H46N2O2S

M.W.:
546.82