Compounds

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
94.13

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4786809

Name:
13-Isobutyl-6-methylene-4,8-di(p-toluenesulfonyl)-4,8,15-triazabicyclo[9.3.Show More⌵

Mol. Formula:
C31H40ClN3O4S2

M.W.:
618.27

5 activity values

5 unique targets

Type:
Unknown

AlogP:
4.93

Polar Surface Area:
87.65

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4783761

Name:
13-tert-Butyl-6-methylene-4,8-di(p-toluenesulfonyl)-4,8,15-triazabicyclo[9.Show More⌵

Mol. Formula:
C31H40ClN3O4S2

M.W.:
618.27

Type:
Unknown

AlogP:
5.03

Polar Surface Area:
87.65

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4758659

Name:
6-Methylene-13-propyl-4,8-di(p-toluenesulfonyl)-4,8,15-triazabicyclo[9.3.1]Show More⌵

Mol. Formula:
C30H38ClN3O4S2

M.W.:
604.24

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
87.65

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4755141

Name:
13-Ethyl-6-methylene-4,8-di(p-toluenesulfonyl)-4,8,15-triazabicyclo[9.3.1]pShow More⌵

Mol. Formula:
C29H36ClN3O4S2

M.W.:
590.21

Type:
Unknown

AlogP:
4.30

Polar Surface Area:
87.65

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4750983

Name:
13-Butyl-6-methylene-4,8-di(p-toluenesulfonyl)-4,8,15-triazabicyclo[9.3.1]pShow More⌵

Mol. Formula:
C31H40ClN3O4S2

M.W.:
618.27

Type:
Unknown

AlogP:
5.08

Polar Surface Area:
87.65

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4748787

Name:
6-Methylene-13-phenyl-4,8-di(p-toluenesulfonyl)-4,8,15-triazabicyclo[9.3.1]Show More⌵

Mol. Formula:
C33H36ClN3O4S2

M.W.:
638.26

13 activity values

7 unique targets

Type:
Unknown

AlogP:
5.40

Polar Surface Area:
87.65

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4747494

Name:
13-Cyclohexylmethoxy-6-methylene-4,8-di(p-toluenesulfonyl)-4,8,15-triazabicShow More⌵

Mol. Formula:
C34H44ClN3O5S2

M.W.:
674.33

Type:
Unknown

AlogP:
5.69

Polar Surface Area:
96.88

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4746252

Name:
13-Benzyloxy-6-methylene-4,8-di(p-toluenesulfonyl)-4,8,15-triazabicyclo[9.3Show More⌵

Mol. Formula:
C34H38ClN3O5S2

M.W.:
668.28

Type:
Unknown

AlogP:
5.31

Polar Surface Area:
96.88

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3143464

Name:
Chloropeptin I analogue

Mol. Formula:
C64H51Cl6N7O16

M.W.:
1386.86

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1852155

Name:
9-benzyl-3-methylene-1,5-ditosyl-1,5,9-triazacyclododecane

Mol. Formula:
C31H39N3O4S2

M.W.:
581.80