Compounds

ALA2252185

Name:
9-Methyl-4-trifluoromethoxy-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]trideca-2Show More⌵

Mol. Formula:
C13H11F3N4O2

M.W.:
312.25

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
78.67

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2252182

Name:
9-Phenyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]trideca-2,4,6,11-tetraen-11-Show More⌵

Mol. Formula:
C17H14N4O

M.W.:
290.33

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
69.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2252181

Name:
12-Methanesulfonyl-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]trideca-2Show More⌵

Mol. Formula:
C13H14N4O3S

M.W.:
306.35

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.93

Polar Surface Area:
94.79

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2252048

Name:
12-Acetyl-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]-trideca-2,4,6-triShow More⌵

Mol. Formula:
C14H14N4O2

M.W.:
270.29

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
77.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2252047

Name:
9-Methyl-4-nitro-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]trideca-2,4,6,11-tetShow More⌵

Mol. Formula:
C12H11N5O3

M.W.:
273.25

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.16

Polar Surface Area:
112.58

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2252046

Name:
4,6-Dibromo-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]trideca-2,4,6-trShow More⌵

Mol. Formula:
C12H10Br2N4O

M.W.:
386.05

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
69.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2252045

Name:
4,6-Dichloro-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]trideca-2,4,6-tShow More⌵

Mol. Formula:
C12H10Cl2N4O

M.W.:
297.14

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
69.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2252044

Name:
4-Chloro-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]-trideca-2,4,6-trieShow More⌵

Mol. Formula:
C12H11ClN4O

M.W.:
262.70

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.91

Polar Surface Area:
69.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2252041

Name:
rel-exo-(1R,9R,13R)-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]tridShow More⌵

Mol. Formula:
C13H14N4O

M.W.:
242.28

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.50

Polar Surface Area:
69.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2252037

Name:
9-Methyl-12-(2,2,2-trifluoro-acetyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]tShow More⌵

Mol. Formula:
C14H11F3N4O2

M.W.:
324.26

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.06

Polar Surface Area:
77.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2252034

Name:
8-Oxa-10,12-diaza-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-ylidene-cyanamShow More⌵

Mol. Formula:
C11H10N4O

M.W.:
214.23

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.87

Polar Surface Area:
69.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2252030

Name:
9-Methyl-12-propionyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]trideca-2,4,6-tShow More⌵

Mol. Formula:
C15H16N4O2

M.W.:
284.32

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.91

Polar Surface Area:
77.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2252028

Name:
(11-Cyanoimino-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]trideca-2,4,6Show More⌵

Mol. Formula:
C15H16N4O3

M.W.:
300.32

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.14

Polar Surface Area:
86.95

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2252027

Name:
5-Fluoro-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]-trideca-2,4,6-trieShow More⌵

Mol. Formula:
C12H11FN4O

M.W.:
246.25

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.40

Polar Surface Area:
69.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2252026

Name:
3,5-Dichloro-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]trideca-2,4,6-tShow More⌵

Mol. Formula:
C12H10Cl2N4O

M.W.:
297.14

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
69.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2252025

Name:
3-Methoxy-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]trideca-2,4,6-trieShow More⌵

Mol. Formula:
C13H14N4O2

M.W.:
258.28

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.26

Polar Surface Area:
78.67

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2252022

Name:
5,6-Dimethoxy-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]trideca-2,4,6,Show More⌵

Mol. Formula:
C14H16N4O3

M.W.:
288.31

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.27

Polar Surface Area:
87.90

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2252021

Name:
9-Methyl-12-pyridin-2-ylmethyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]tridecShow More⌵

Mol. Formula:
C18H17N5O

M.W.:
319.37

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
73.54

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA2252020

Name:
6-Fluoro-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]-trideca-2,4,6-trieShow More⌵

Mol. Formula:
C12H11FN4O

M.W.:
246.25

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.40

Polar Surface Area:
69.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2252017

Name:
5-Chloro-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]-trideca-2,4,6-trieShow More⌵

Mol. Formula:
C12H11ClN4O

M.W.:
262.70

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.91

Polar Surface Area:
69.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.70

DETAILS