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

ALA4785236

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

Mol. Formula:
C28H34ClN3O4S2

M.W.:
576.18

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
87.65

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

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

ALA4783030

Name:
6-methylene-4,8-bis(p-tolylsulfonyl)-4,8,15-triazabicyclo[9.3.1]pentadeca-1Show More⌵

Mol. Formula:
C27H31N3O4S2

M.W.:
525.70

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
87.65

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4782080

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

Mol. Formula:
C29H36ClN3O5S2

M.W.:
606.21

Type:
Unknown

AlogP:
4.13

Polar Surface Area:
96.88

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

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

ALA4750160

Name:
6-Methylene-4,8-bis(p-toluenesulfonyl)-4,8,15-triazabicyclo[9.3.1]pentadecaShow More⌵

Mol. Formula:
C27H32BrN3O5S2

M.W.:
622.61

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
107.88

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

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

ALA4743003

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

Mol. Formula:
C28H34ClN3O5S2

M.W.:
592.18

5 activity values

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
96.88

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3215463

Name:
2-(R)-Phenyl-2-[3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahShow More⌵

Mol. Formula:
C20H29NO12

M.W.:
475.45

Type:
Small molecule

AlogP:
-4.15

Polar Surface Area:
221.62

HBA:
12

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA3215462

Name:
(R)-Phenyl-[3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydroShow More⌵

Mol. Formula:
C20H28O13

M.W.:
476.43

Type:
Small molecule

AlogP:
-3.55

Polar Surface Area:
215.83

HBA:
12

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA2303964

Name:
2-[(1-phenylprop-2-yn-1-yl)oxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxanShow More⌵

Mol. Formula:
C21H28O11

M.W.:
456.44

Type:
Small molecule

AlogP:
-3.00

Polar Surface Area:
178.53

HBA:
11

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA2303963

Name:
2-(anthracen-9-ylmethoxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]Show More⌵

Mol. Formula:
C27H32O11

M.W.:
532.54

Type:
Small molecule

AlogP:
-0.87

Polar Surface Area:
178.53

HBA:
11

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA2303962

Name:
2-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy}Show More⌵

Mol. Formula:
C20H30O11

M.W.:
446.45

Type:
Small molecule

AlogP:
-3.13

Polar Surface Area:
178.53

HBA:
11

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA2303961

Name:
2-[(2,4-dimethoxyphenyl)methoxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxaShow More⌵

Mol. Formula:
C21H32O13

M.W.:
492.47