Compounds

Type:
Unknown

AlogP:
3.51

Polar Surface Area:
43.10

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4636608

Name:
3-phenyl-1,4-benzoxazin-2-one

Mol. Formula:
C14H9NO2

M.W.:
223.23

3 activity values

Type:
Unknown

AlogP:
2.86

Polar Surface Area:
43.10

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.64

DETAILS

ALA4634217

Name:
2-phenyl-1,2-dihydro-3,1-benzoxazin-4-one

Mol. Formula:
C14H11NO2

M.W.:
225.25

Type:
Unknown

AlogP:
2.97

Polar Surface Area:
38.33

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.76

DETAILS

ALA4592888

Name:
9-(2,5-dichlorobenzyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purineShow More⌵

Mol. Formula:
C17H17Cl2N5O2

M.W.:
394.26

Type:
Unknown

AlogP:
2.15

Polar Surface Area:
65.06

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4592393

Name:
5-Hydrazinyl-[1,2,4]triazolo[1,5-c]quinazolin-2-amine

Mol. Formula:
C9H9N7

M.W.:
215.22

6 activity values

Type:
Unknown

AlogP:
0.15

Polar Surface Area:
107.15

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4581583

Name:
(S)-8-(5-Methoxy-2,1,3,4-tetrahydronaphth-2-yl)-1,3-dimethyl-6,7,8,9-tetra-Show More⌵

Mol. Formula:
C21H25N5O3

M.W.:
395.46

12 activity values

Type:
Unknown

AlogP:
0.82

Polar Surface Area:
74.29

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4580228

Name:
(E)-2-(3,4-Dihydroxybenzylidene)-5-methoxy-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C17H14O4

M.W.:
282.30

3 activity values

Type:
Unknown

AlogP:
2.93

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4580206

Name:
1,3-dimethyl-9-(2-(pyridin-4-yl)ethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purShow More⌵

Mol. Formula:
C17H20N6O2

M.W.:
340.39

8 activity values

Type:
Unknown

AlogP:
0.28

Polar Surface Area:
77.95

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4579395

Name:
9-(2-chloro-4-fluorobenzyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]pShow More⌵

Mol. Formula:
C17H17ClFN5O2

M.W.:
377.81

Type:
Unknown

AlogP:
1.64

Polar Surface Area:
65.06

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4579360

Name:
1,3-Dimethyl-8-(2-phenoxyethyl)-6,7,8,9-tetrahydropyrazino[2,1-f]purine-2,4Show More⌵

Mol. Formula:
C18H21N5O3

M.W.:
355.40

15 activity values

7 unique targets

Type:
Unknown

AlogP:
0.33

Polar Surface Area:
74.29

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4577288

Name:
(E)-2-(4-(Dimethylamino)benzylidene)-4-methoxy-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C19H19NO2

M.W.:
293.37

4 activity values

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4576786

Name:
1,3-dimethyl-9-(3,4,5-trifluorobenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purShow More⌵

Mol. Formula:
C17H16F3N5O2

M.W.:
379.34

8 activity values

Type:
Unknown

AlogP:
1.26

Polar Surface Area:
65.06

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4574304

Name:
(R,S)-8-(2,3-Dihydro-1H-inden-1-yl)-1,3-dimethyl-6,7,8,9-tetrahydropyrazinoShow More⌵

Mol. Formula:
C19H21N5O2

M.W.:
351.41

12 activity values

7 unique targets

Type:
Unknown

AlogP:
0.94

Polar Surface Area:
65.06

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4574192

Name:
9-(3-chloro-4-methoxybenzyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]Show More⌵

Mol. Formula:
C18H20ClN5O3

M.W.:
389.84

Type:
Unknown

AlogP:
1.51

Polar Surface Area:
74.29

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4574105

Name:
1,3-dimethyl-9-(thiophen-2-ylmethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purinShow More⌵

Mol. Formula:
C15H17N5O2S

M.W.:
331.40

8 activity values

Type:
Unknown

AlogP:
0.91

Polar Surface Area:
65.06

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4574016

Name:
N-(2,5-Diphenyloxazolo[5,4-d]pyrimidin-7-yl)acetamide

Mol. Formula:
C19H13ClN4O2

M.W.:
364.79

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
80.91

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4572336

Name:
(E)-2-(3-Hydroxybenzylidene)-4-methoxy-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C17H14O3

M.W.:
266.30

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

4-Methoxy-1-indanone

Name:
4-Methoxy-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C10H10O2

M.W.:
162.19

4 activity values

Type:
Unknown

AlogP:
1.82

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.63

DETAILS

ALA4570974

Name:
9-(6-chloro-2-fluoro-3-methoxybenzyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimiShow More⌵

Mol. Formula:
C18H19ClFN5O3

M.W.:
407.83