Compounds

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-1-ylidene]-piperidine-1-cShow More⌵

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

ALA4535967

Name:
2-Methyl-6-{3-[1-(phenylsulfonyl)piperidin-4-ylidene]prop-1-yn-1-yl}pyridinShow More⌵

Mol. Formula:
C20H20N2O2S

M.W.:
352.46

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-yl)prop-2-yn-1-ylidene]piShow More⌵

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]piperidin-1-yl}-2-phenyleShow More⌵

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

ALA4463438

Name:
2-Methoxy-1-{4-[3-(6-methylpyridin-2-yl)prop-2-yn-1-ylidene]-piperidin-1-ylShow More⌵

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-[(1S)-1-phenylethyl]piperShow More⌵

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-ylidene]-piperidine-1-carboxShow More⌵

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-2-yn-1-ylidene]piperidin-Show More⌵

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

ALA3785968

Name:
trans-N'3,N'3-Dimethyl-N'1-(4-methyl-cyclohexyl)-2,4,8a,9-tetraaza-fluoreneShow More⌵

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

ALA3786174

Name:
(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yl-(2,4,8a,9-tetraaza-fluoren-1-yl)-amine

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-fluoren-1-yl)-amine

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-fluoren-1-yl)-amine

Mol. Formula:
C15H15F2N5

M.W.:
303.32

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)-amine

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

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
55.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3787232

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

Mol. Formula:
C14H17N5

M.W.:
255.32

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
55.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3785407

Name:
(2,4,8a,9-Tetraaza-fluoren-1-yl)-((R)-1,2,2-trimethyl-propyl)-amine

Mol. Formula:
C15H19N5

M.W.:
269.35

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
55.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3786777

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

Mol. Formula:
C14H15N5

M.W.:
253.31