Compounds

Type:
Unknown

AlogP:
1.51

Polar Surface Area:
95.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4090245

Name:
6-(4-Chlorobenzyl)-9-((tetrahydro-2H-pyran-4-yl)me
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Mol. Formula:
C23H24ClN5O2S

M.W.:
470.00

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
64.66

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4544864

Name:
(R)-1-cyclopentyl-6-((1-morpholino-1-oxopropan-2-y
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Mol. Formula:
C17H24N6O3

M.W.:
360.42

4 unique targets

Type:
Unknown

AlogP:
0.89

Polar Surface Area:
105.14

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4543521

Name:
(R)-1-cyclopentyl-6-((1-oxo-1-(pyrrolidin-1-yl)pro
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Mol. Formula:
C17H24N6O2

M.W.:
344.42

Type:
Unknown

AlogP:
1.66

Polar Surface Area:
95.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4086861

Name:
6-(4-Chlorobenzyl)-9-(cyclopropylmethyl)-8,9,10,11
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Mol. Formula:
C21H20ClN5OS

M.W.:
425.95

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
55.43

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4644938

Name:
6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopen
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Mol. Formula:
C18H20ClN5O

M.W.:
357.85

2 unique targets

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
75.60

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4580164

Name:
1-Cyclopentyl-6-(((R)-1-((S)-3-fluoropyrrolidin-1-
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Mol. Formula:
C17H23FN6O2

M.W.:
362.41

60 activity values

20 unique targets

Type:
Unknown

AlogP:
1.61

Polar Surface Area:
95.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4564974

Name:
(R)-N-cyclopentyl-2-((1-cyclopentyl-4-oxo-4,5-dihy
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Mol. Formula:
C18H26N6O2

M.W.:
358.45

Type:
Unknown

AlogP:
2.09

Polar Surface Area:
104.70

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4084358

Name:
6-(4-Chlorobenzyl)-9-(oxetan-3-yl)-8,9,10,11-tetra
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Mol. Formula:
C20H18ClN5O2S

M.W.:
427.92

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
64.66

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4069196

Name:
6-(Benzyl)-9-((tetrahydro-2H-pyran-4-yl)methyl)-8,
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Mol. Formula:
C23H25N5O2S

M.W.:
435.55

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
64.66

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4068450

Name:
6-(4-Chlorobenzyl)-9-methyl-8,9,10,11-tetrahydropy
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Mol. Formula:
C18H16ClN5OS

M.W.:
385.88

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
55.43

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4067682

Name:
6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr
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Mol. Formula:
C24H26FN5O3S

M.W.:
483.57

40 activity values

21 unique targets

Type:
Small molecule

AlogP:
3.09

Polar Surface Area:
73.89

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4515145

Name:
1-cyclopentyl-6-(((R)-1-((R)-3-(dimethylamino)pyrr
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Mol. Formula:
C19H29N7O2

M.W.:
387.49

Type:
Unknown

AlogP:
1.20

Polar Surface Area:
99.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4468399

Name:
(R)-1-cyclopentyl-6-((1-oxo-1-(thiazolidin-3-yl)pr
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Mol. Formula:
C16H22N6O2S

M.W.:
362.46

9 activity values

4 unique targets

Type:
Unknown

AlogP:
1.57

Polar Surface Area:
95.91

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4465401

Name:
1-cyclopentyl-6-(((R)-1-((S)-3-(dimethylamino)pyrr
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Mol. Formula:
C19H29N7O2

M.W.:
387.49

Type:
Unknown

AlogP:
1.20

Polar Surface Area:
99.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4457086

Name:
1-cyclopentyl-6-(((2R)-1-(2-methylpyrrolidin-1-yl)
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Mol. Formula:
C18H26N6O2

M.W.:
358.45

Type:
Unknown

AlogP:
2.05

Polar Surface Area:
95.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4453141

Name:
(R)-2-((1-cyclopentyl-4-oxo-4,5-dihydro-1H-pyrazol
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Mol. Formula:
C15H22N6O2

M.W.:
318.38

Type:
Unknown

AlogP:
1.12

Polar Surface Area:
95.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4450464

Name:
1-cyclopentyl-6-(((R)-1-((R)-3-fluoropyrrolidin-1-
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Mol. Formula:
C17H23FN6O2

M.W.:
362.41

Type:
Unknown

AlogP:
1.61

Polar Surface Area:
95.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4445082

Name:
(R)-1-cyclopentyl-6-((1-(3,3-difluoropyrrolidin-1-
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Mol. Formula:
C17H22F2N6O2

M.W.:
380.40