Compounds

Type:
Unknown

AlogP:
3.64

Polar Surface Area:
63.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4476021

Name:
(5-((3-Hydroxyphenethyl)amino)-1-phenyl-4,5,6,7-te
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Mol. Formula:
C27H32N4O2

M.W.:
444.58

Type:
Unknown

AlogP:
3.89

Polar Surface Area:
70.39

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4475785

Name:
(1-Benzyl-5-((4-fluorobenzyl)amino)-4,5,6,7-tetrah
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Mol. Formula:
C27H31FN4O

M.W.:
446.57

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
50.16

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4540551

Name:
N,N-Dimethyl-1-propyl-5-((4-(trifluoromethyl)phene
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Mol. Formula:
C22H29F3N4O

M.W.:
422.50

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
50.16

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4539118

Name:
4-(5-(Phenethylamino)-3-(piperidine-1-carbonyl)-4,
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Mol. Formula:
C28H33N5O2

M.W.:
471.61

Type:
Unknown

AlogP:
3.29

Polar Surface Area:
93.25

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4533305

Name:
1-(4-fluorophenyl)-4-(4-(pyridin-2-yl)-1,4-diazepa
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Mol. Formula:
C20H24FN3O

M.W.:
341.43

20 activity values

11 unique targets

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
36.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4556150

Name:
(5-((4-Fluorophenethyl)amino)-1-phenyl-4,5,6,7-tet
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Mol. Formula:
C27H31FN4O

M.W.:
446.57

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
50.16

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4556093

Name:
5-chloro-2-(2-(4-(4-chlorophenyl)-1,4-diazepan-1-y
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Mol. Formula:
C22H22Cl2N2O

M.W.:
401.34

5 activity values

Type:
Unknown

AlogP:
5.18

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4554850

Name:
1-(4-fluorophenyl)-4-(4-(pyrimidin-2-yl)-1,4-diaze
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Mol. Formula:
C19H24FN5O

M.W.:
357.43

4 activity values

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
64.85

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4529866

Name:
5-(4-Fluorobenzamido)-N,N-dimethyl-1-propyl-4,5,6,
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Mol. Formula:
C20H25FN4O2

M.W.:
372.44

Type:
Unknown

AlogP:
2.42

Polar Surface Area:
67.23

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4516724

Name:
1-(4-fluorophenyl)-4-(4-(pyrimidin-2-yl)-1,4-diaze
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Mol. Formula:
C19H23FN4O

M.W.:
342.42

5 activity values

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
49.33

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4548328

Name:
(5-(Benzylamino)-2-phenyl-4,5,6,7-tetrahydro-2H-in
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Mol. Formula:
C26H30N4O

M.W.:
414.55

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
50.16

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4745019

Name:
9-[(4-fluorophenyl)methylamino]-2-methyl-3,4,7,8,9
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Mol. Formula:
C18H21FN4O

M.W.:
328.39

Type:
Unknown

AlogP:
1.75

Polar Surface Area:
50.16

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4741458

Name:
4-[2-[(1-oxo-2,3,4,5,8,9,10,11-octahydro-[1,4]diaz
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Mol. Formula:
C20H23N5O

M.W.:
349.44

Type:
Unknown

AlogP:
1.58

Polar Surface Area:
82.74

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4776009

Name:
1-(4-(3-((1-(3,4-Dichlorophenyl)-5-methyl-1H-pyraz
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Mol. Formula:
C20H26Cl2N4O2

M.W.:
425.36

4 activity values

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
50.60

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4765193

Name:
6-(5-(diethylamino)pentyloxy)-4H-chromen-4-one

Mol. Formula:
C18H25NO3

M.W.:
303.40

Type:
Unknown

AlogP:
3.68

Polar Surface Area:
42.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4765152

Name:
6-(3-(pyrrolidin-1-yl)propoxy)-4H-chromen-4-one

Mol. Formula:
C16H19NO3

M.W.:
273.33

Type:
Unknown

AlogP:
2.66

Polar Surface Area:
42.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4764493

Name:
[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenyl-4,5,
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Mol. Formula:
C28H32N4O

M.W.:
440.59

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
41.37

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4762627

Name:
4-(3-(1-(3,4-Dichlorophenyl)-5-methyl-1H-pyrazol-3
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Mol. Formula:
C17H21Cl2N3O

M.W.:
354.28

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
30.29

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4760964

Name:
6-(3-(4-methylpiperazin-1-yl)propoxy)-4H-chromen-4
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Mol. Formula:
C17H22N2O3

M.W.:
302.37