Compounds

Type:
---

AlogP:
-0.90

Polar Surface Area:
206.45

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5195249

Name:
(S)-N-(1-amino-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-1,3-dioxoproShow More⌵

Mol. Formula:
C19H16N4O5

M.W.:
380.36

Type:
---

AlogP:
-0.01

Polar Surface Area:
154.98

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5190289

Name:
(S)-N-(3-amino-2-(3-methylbenzamido)-3-oxopropyl)-1,4-dioxo-1,2,3,4-tetrahyShow More⌵

Mol. Formula:
C20H19N5O5

M.W.:
409.40

Type:
---

AlogP:
-0.46

Polar Surface Area:
167.01

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5187652

Name:
(S)-N-(3-(methylamino)-2-(3-methylbenzamido)-3-oxopropyl)-1,4-dioxo-1,2,3,4Show More⌵

Mol. Formula:
C21H21N5O5

M.W.:
423.43

Type:
---

AlogP:
-0.20

Polar Surface Area:
153.02

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5091585

Name:
8-ethoxythieno[2,3-c]isoquinolin-5(4H)-one

Mol. Formula:
C13H11NO2S

M.W.:
245.30

Type:
Unknown

AlogP:
3.14

Polar Surface Area:
42.09

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5084343

Name:
8-methoxythieno[2,3-c]isoquinolin-5(4H)-one

Mol. Formula:
C12H9NO2S

M.W.:
231.28

6 activity values

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
42.09

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.70

DETAILS

ALA5083566

Name:
8-isopropoxythieno[2,3-c]isoquinolin-5(4H)-one

Mol. Formula:
C14H13NO2S

M.W.:
259.33

6 activity values

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
42.09

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5078132

Name:
8-(3-bromobenzyloxy)thieno[2,3-c]isoquinolin-5(4H)-one

Mol. Formula:
C18H12BrNO2S

M.W.:
386.27

Type:
Unknown

AlogP:
5.08

Polar Surface Area:
42.09

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5077731

Name:
8-hydroxythieno[2,3-c]isoquinolin-5(4H)-one

Mol. Formula:
C11H7NO2S

M.W.:
217.25

Type:
Unknown

AlogP:
2.45

Polar Surface Area:
53.09

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.61

DETAILS

ALA5076823

Name:
8-(benzyloxy)thieno[2,3-c]isoquinolin-5(4H)-one

Mol. Formula:
C18H13NO2S

M.W.:
307.37