Compounds

ALA3350752

Name:
2,3-Bis[(triphenylphosphonio)methyl]-5-hydroxy-4-(hydroxymethyl)-6-methylpyShow More⌵

Mol. Formula:
C45H41NO2P2+2

M.W.:
689.78

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
7.58

Polar Surface Area:
53.35

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA2398203

Name:
5-[(Triphenylphosphonio)methyl]-3-hydroxy-4-(hydroxymethyl)-2-methylpyridinShow More⌵

Mol. Formula:
C26H26Cl2NO2P

M.W.:
486.38

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
53.35

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2398202

Name:
5-[(Triphenylphosphonio)methyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridShow More⌵

Mol. Formula:
C29H29ClNO2P

M.W.:
489.98

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.53

Polar Surface Area:
31.35

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2398201

Name:
2,3,6-Tris[(triphenylphosphonio)methyl]-5-hydroxy-4-(hydroxymethyl)pyridineShow More⌵

Mol. Formula:
C63H56Cl4NO2P3

M.W.:
1093.88

4 activity values

4 unique targets

Type:
Unknown

AlogP:
10.76

Polar Surface Area:
53.35

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA2398200

Name:
5,6,8-Tris[(triphenylphosphonio)methyl]-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]Show More⌵

Mol. Formula:
C66H59Cl3NO2P3

M.W.:
1097.48

4 activity values

4 unique targets

Type:
Unknown

AlogP:
12.21

Polar Surface Area:
31.35

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA2398197

Name:
2,5-Bis[(triphenylphosphonio)methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-1-Show More⌵

Mol. Formula:
C44H40Cl3NO2P2

M.W.:
783.12

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
7.27

Polar Surface Area:
53.35

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA2398196

Name:
5,8-Bis[(triphenylphosphonio)methyl]-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyrShow More⌵

Mol. Formula:
C47H43Cl2NO2P2

M.W.:
786.72

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
8.71

Polar Surface Area:
31.35

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA2398195

Name:
2-[(Triphenylphosphonio)methyl]-3-hydroxy-4,5,6-tris(hydroxymethyl)pyridin-Show More⌵

Mol. Formula:
C27H28Cl2NO4P

M.W.:
532.40

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
93.81

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2398194

Name:
8-[(Triphenylphosphonio)methyl]-5,6-bis(hydroxymethyl)-2,2-dimethyl-4H-[1,3Show More⌵

Mol. Formula:
C30H31ClNO4P

M.W.:
536.01

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
71.81

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2398193

Name:
5-[(Triphenylphosphonio)methyl]-3-hydroxy-4,6-bis(hydroxymethyl)-2-methyl-pShow More⌵

Mol. Formula:
C27H28Cl2NO3P

M.W.:
516.41

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
73.58

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2398192

Name:
6-[(Triphenylphosphonio)methyl]-3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyShow More⌵

Mol. Formula:
C27H28Cl2NO3P

M.W.:
516.41

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
73.58

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2398191

Name:
6-[(Triphenylphosphonio)methyl]-9-acetoxy-3,3,8-trimethyl-1,5-dihydro-[1,3]Show More⌵

Mol. Formula:
C32H33ClNO4P

M.W.:
562.05

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.59

Polar Surface Area:
57.65

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS