Compounds

Type:
Unknown

AlogP:
-0.73

Polar Surface Area:
318.10

HBA:
20

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4861101

Name:
Paratrimerin K

Mol. Formula:
C45H52O20

M.W.:
912.89

Type:
Unknown

AlogP:
-0.74

Polar Surface Area:
318.10

HBA:
20

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4856696

Name:
Paratrimerin S

Mol. Formula:
C45H52O20

M.W.:
912.89

Type:
Unknown

AlogP:
-0.73

Polar Surface Area:
318.10

HBA:
20

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4879261

Name:
Paratrimerin L

Mol. Formula:
C45H52O20

M.W.:
912.89

Type:
Unknown

AlogP:
-0.74

Polar Surface Area:
318.10

HBA:
20

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4876962

Name:
Paratrimerin P

Mol. Formula:
C45H52O20

M.W.:
912.89

Type:
Unknown

AlogP:
-0.74

Polar Surface Area:
318.10

HBA:
20

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4876476

Name:
Paratrimerin V

Mol. Formula:
C50H60O24

M.W.:
1045.01

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4874333

Name:
Paratrimerin O

Mol. Formula:
C45H52O20

M.W.:
912.89

Type:
Unknown

AlogP:
-0.74

Polar Surface Area:
318.10

HBA:
20

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4848223

Name:
Paratrimerin R

Mol. Formula:
C45H52O20

M.W.:
912.89

Type:
Unknown

AlogP:
-0.73

Polar Surface Area:
318.10

HBA:
20

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4865398

Name:
Paratrimerin B

Mol. Formula:
C45H52O20

M.W.:
912.89

Type:
Unknown

AlogP:
-0.73

Polar Surface Area:
318.10

HBA:
20

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4862762

Name:
Paratrimerin N

Mol. Formula:
C45H52O20

M.W.:
912.89

Type:
Unknown

AlogP:
-0.74

Polar Surface Area:
318.10

HBA:
20

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4862135

Name:
Paratrimerin M

Mol. Formula:
C45H52O20

M.W.:
912.89

Type:
Unknown

AlogP:
-0.74

Polar Surface Area:
318.10

HBA:
20

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4855058

Name:
Paratrimerin U

Mol. Formula:
C50H60O24

M.W.:
1045.01

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4851231

Name:
Paratrimerin J

Mol. Formula:
C40H44O16

M.W.:
780.78

Type:
Unknown

AlogP:
0.80

Polar Surface Area:
259.18

HBA:
16

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5272831

Name:
(R,1Z,6E)-7-chloro-1-((S)-2-((S,2Z,4Z,6E)-8-((S)-5
Show More⌵

Mol. Formula:
C31H44ClN3O7

M.W.:
606.16

Type:
---

AlogP:
5.07

Polar Surface Area:
146.05

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5094741

Name:
4-(((4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)urei
Show More⌵

Mol. Formula:
C22H18ClF3N4O3

M.W.:
478.86

Type:
Unknown

AlogP:
5.73

Polar Surface Area:
102.49

HBA:
4

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5093506

Name:
N1-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureid
Show More⌵

Mol. Formula:
C20H20ClF3N4O4

M.W.:
472.85

Type:
Unknown

AlogP:
5.01

Polar Surface Area:
119.56

HBA:
4

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5092946

Name:
Methyl 7-Methoxy-6-[4-(N-methyl-6-{5-[(3aS,4S,6aR)
Show More⌵

Mol. Formula:
C33H42N4O8S

M.W.:
654.79

5 activity values

Type:
Unknown

AlogP:
4.24

Polar Surface Area:
144.53

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5091862

Name:
2-((4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureid
Show More⌵

Mol. Formula:
C19H14ClF3N6O3

M.W.:
466.81

Type:
Unknown

AlogP:
4.66

Polar Surface Area:
128.27

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5091460

Name:
Methyl 6-[4-(Dimethylamino)phenyl]-2-methoxybenzo[
Show More⌵

Mol. Formula:
C18H19NO5

M.W.:
329.35

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.94

Polar Surface Area:
57.23

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5090242

Name:
4-((5-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureid
Show More⌵

Mol. Formula:
C24H20ClF3N4O3

M.W.:
504.90