Compounds

Type:
Unknown

AlogP:
3.15

Polar Surface Area:
50.27

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4530045

Name:
2-(3,5-Difluorophenyl)-1-{4-[3-(6-methylpyridin-2-
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Mol. Formula:
C22H20F2N2O

M.W.:
366.41

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
33.20

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4525950

Name:
1-{4-[3-(6-Methylpyridin-2-yl)prop-2-yn-1-ylidene]
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Mol. Formula:
C22H22N2O

M.W.:
330.43

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
33.20

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4571404

Name:
N-tert-Butyl-N-methyl-4-[3-(6-methylpyridin-2-yl)p
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Mol. Formula:
C20H27N3O

M.W.:
325.46

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
36.44

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4563328

Name:
N-tert-Butyl 4-[3-(6-Methylpyridin-2-yl)prop-2-yn-
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Mol. Formula:
C19H25N3O

M.W.:
311.43

Type:
Unknown

AlogP:
3.27

Polar Surface Area:
45.23

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3785968

Name:
trans-N'3,N'3-Dimethyl-N'1-(4-methyl-cyclohexyl)-2
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Mol. Formula:
C18H24N6

M.W.:
324.43

4 activity values

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
58.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4463438

Name:
2-Methoxy-1-{4-[3-(6-methylpyridin-2-yl)prop-2-yn-
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Mol. Formula:
C17H20N2O2

M.W.:
284.36

Type:
Unknown

AlogP:
1.94

Polar Surface Area:
42.43

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.78

DETAILS

ALA4454630

Name:
4-[3-(6-Methylpyridin-2-yl)prop-2-yn-1-ylidene]-N-
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Mol. Formula:
C23H25N3O

M.W.:
359.47

Type:
Unknown

AlogP:
4.23

Polar Surface Area:
45.23

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4449729

Name:
N-Butyl 4-[3-(6-Methylpyridin-2-yl)prop-2-yn-1-yli
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Mol. Formula:
C19H25N3O

M.W.:
311.43

Type:
Unknown

AlogP:
3.27

Polar Surface Area:
45.23

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4448304

Name:
(4-Methoxyphenyl){4-[3-(6-methylpyridin-2-yl)prop-
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Mol. Formula:
C22H22N2O2

M.W.:
346.43

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
42.43

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3786667

Name:
(Z)-(1R,2R)-1-((S)-2-amino-2-carboxyethyl)cyclopro
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Mol. Formula:
C8H11NO6

M.W.:
217.18

22 activity values

15 unique targets

Type:
Small molecule

AlogP:
-1.04

Polar Surface Area:
137.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3786026

Name:
(Z)-(1S,2S)-1-((S)-2-amino-2-carboxyethyl)cyclopro
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Mol. Formula:
C8H11NO6

M.W.:
217.18

20 activity values

14 unique targets

Type:
Small molecule

AlogP:
-1.04

Polar Surface Area:
137.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3786938

Name:
(E)-(1S,2R)-1-((S)-2-amino-2-carboxyethyl)cyclopro
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Mol. Formula:
C8H11NO6

M.W.:
217.18

19 activity values

14 unique targets

Type:
Small molecule

AlogP:
-1.04

Polar Surface Area:
137.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3787264

Name:
(E)-(1R,2S)-1-((S)-2-amino-2-carboxyethyl)cyclopro
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Mol. Formula:
C8H11NO6

M.W.:
217.18

21 activity values

15 unique targets

Type:
Small molecule

AlogP:
-1.04

Polar Surface Area:
137.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3786174

Name:
(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yl-(2,4,8a,9-tetra
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Mol. Formula:
C16H17N5

M.W.:
279.35

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
55.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3786063

Name:
trans-(4-Methyl-cyclohexyl)-(2,4,8a,9-tetraaza-flu
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Mol. Formula:
C16H19N5

M.W.:
281.36

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
55.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3786116

Name:
(4,4-Difluoro-cyclohexyl)-(2,4,8a,9-tetraaza-fluor
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Mol. Formula:
C15H15F2N5

M.W.:
303.32

5 activity values

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
55.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3786284

Name:
Adamantan-2-yl-(2,4,8a,9-tetraaza-fluoren-1-yl)-am
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Mol. Formula:
C19H21N5

M.W.:
319.41

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
55.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3785879

Name:
Indan-2-yl-(2,4,8a,9-tetraaza-fluoren-1-yl)-amine

Mol. Formula:
C18H15N5

M.W.:
301.35

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
55.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3786959

Name:
Cyclohexyl-(2,4,8a,9-tetraaza-fluoren-1-yl)-amine

Mol. Formula:
C15H17N5

M.W.:
267.34

5 activity values