Compounds

Type:
Small molecule

AlogP:
2.54

Polar Surface Area:
110.70

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4216117

Name:
(+/-)-syn-ethyl 1-(2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)ethyl)-4-(p-Show More⌵

Mol. Formula:
C25H29N3O4

M.W.:
435.52

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
84.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4214975

Name:
(+/-)-anti-Ethyl 1-(2-(2,4-Dioxo-1,2-dihydroquinazolin-3(4H)-yl)ethyl)-4-(4Show More⌵

Mol. Formula:
C24H26FN3O4

M.W.:
439.49

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
84.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4213176

Name:
(+/-)-syn-ethyl 4-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-1-(2-(2,4-dioxo-1,2Show More⌵

Mol. Formula:
C26H29N3O6

M.W.:
479.53

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
102.86

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4212633

Name:
(+/-)-syn-ethyl 4-([1,1'-biphenyl]-4-yl)-1-(2-(2,4-dioxo-1,2-dihydroquinazoShow More⌵

Mol. Formula:
C30H31N3O4

M.W.:
497.60

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
84.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4208779

Name:
(+/-)syn-ethyl-(2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)ethyl)-4-(3-(trShow More⌵

Mol. Formula:
C25H26F3N3O4

M.W.:
489.49

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
84.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4208250

Name:
(+/-)-syn-ethyl 1-(2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)ethyl)-4-(thShow More⌵

Mol. Formula:
C22H25N3O4S

M.W.:
427.53

Type:
Small molecule

AlogP:
2.42

Polar Surface Area:
84.40

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4207838

Name:
[3H]-(+)-syn-ethyl 1-(2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)ethyl)-4-Show More⌵

Mol. Formula:
C24H26FN3O4

M.W.:
443.50

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
84.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4207658

Name:
(+/-)-syn-ethyl 1-(2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)ethyl)-4-pheShow More⌵

Mol. Formula:
C24H27N3O4

M.W.:
421.50

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
84.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

3-Isobutyl-9，10-dimethoxy-2，3，4，6，7，11b-hexahydro-1H-pyrido[2，1-a]isoquinolin-2-ol

Name:
[3H]-Dihydrotetrabenazine

Mol. Formula:
C19H29NO3

M.W.:
319.45

10 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4205254

Name:
(+)-ethyl 1-(2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)ethyl)-4-(4-fluoroShow More⌵

Mol. Formula:
C24H26FN3O4

M.W.:
439.49

20 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
84.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4204449

Name:
(+/-)-syn-ethyl4-(4-(dimethylamino)phenyl)-1-(2-(2,4-dioxo-1,2-dihydroquinaShow More⌵

Mol. Formula:
C26H32N4O4

M.W.:
464.57

Type:
Small molecule

AlogP:
2.42

Polar Surface Area:
87.64

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4203894

Name:
(+/-)syn-ethyl1-(2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)ethyl)-4-(4-(tShow More⌵

Mol. Formula:
C25H26F3N3O4

M.W.:
489.49

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
84.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4202787

Name:
(+/-)-syn-ethyl 1-(2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)ethyl)-4-(4-Show More⌵

Mol. Formula:
C24H26FN3O4

M.W.:
439.49

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
84.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

methamphetamine

Name:
Methamphetamine

Mol. Formula:
C10H15N

M.W.:
149.24