Compounds

Type:
Small molecule

AlogP:
6.60

Polar Surface Area:
118.20

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3245421

Name:
3,3',3''-(benzene-1,3,5-triyltris(methylene))tris(oxy)tribenzimidamide

Mol. Formula:
C30H30N6O3

M.W.:
522.61

2 activity values

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
177.30

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3245420

Name:
4,4'-(5-((4-nitrophenoxy)methyl)-1,3-phenylene)bis(methylene)bis(oxy)bis(3-Show More⌵

Mol. Formula:
C29H25Cl2N5O5

M.W.:
594.46

Type:
Small molecule

AlogP:
6.21

Polar Surface Area:
170.57

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3245419

Name:
4,4'-(5-((4-nitrophenoxy)methyl)-1,3-phenylene)bis(methylene)bis(oxy)dibenzShow More⌵

Mol. Formula:
C29H27N5O5

M.W.:
525.57

Type:
Small molecule

AlogP:
4.90

Polar Surface Area:
170.57

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA3245418

Name:
4,4',4''-(benzene-1,3,5-triyltris(methylene))tris(oxy)tris(3-iodobenzimidamShow More⌵

Mol. Formula:
C30H27I3N6O3

M.W.:
900.30

2 activity values

Type:
Small molecule

AlogP:
6.09

Polar Surface Area:
177.30

HBA:
6

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3245417

Name:
4,4',4''-(benzene-1,3,5-triyltris(methylene))tris(oxy)tribenzimidamide

Mol. Formula:
C30H30N6O3

M.W.:
522.61

2 activity values

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
177.30

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3245416

Name:
4,4'-(tetradecane-1,14-diylbis(oxy))dibenzimidamide

Mol. Formula:
C28H42N4O2

M.W.:
466.67

Type:
Small molecule

AlogP:
6.39

Polar Surface Area:
118.20

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3245415

Name:
4,4'-(dodecane-1,12-diylbis(oxy))dibenzimidamide

Mol. Formula:
C26H38N4O2

M.W.:
438.62

Type:
Small molecule

AlogP:
5.61

Polar Surface Area:
118.20

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3245414

Name:
4,4'-(decane-1,10-diylbis(oxy))bis(3-bromobenzimidamide)

Mol. Formula:
C24H32Br2N4O2

M.W.:
568.35

Type:
Small molecule

AlogP:
6.36

Polar Surface Area:
118.20

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3245413

Name:
4,4'-(decane-1,10-diylbis(oxy))dibenzimidamide

Mol. Formula:
C24H34N4O2

M.W.:
410.56

14 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
118.20

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3245412

Name:
4,4'-(octane-1,8-diylbis(oxy))bis(3-iodobenzimidamide)

Mol. Formula:
C22H28I2N4O2

M.W.:
634.30

Type:
Small molecule

AlogP:
5.26

Polar Surface Area:
118.20

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA3245411

Name:
4,4'-(octane-1,8-diylbis(oxy))dibenzimidamide

Mol. Formula:
C22H30N4O2

M.W.:
382.51

3 activity values

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
118.20

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3245410

Name:
4-(8-phenoxyoctyloxy)benzimidamide

Mol. Formula:
C21H28N2O2

M.W.:
340.47

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
68.33

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3245409

Name:
4-(5-(3-carbamimidoylphenoxy)pentyloxy)-3-iodobenzimidamide

Mol. Formula:
C19H23IN4O2

M.W.:
466.32

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
118.20

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3245408

Name:
3-(5-(4-aminophenoxy)pentyloxy)benzimidamide

Mol. Formula:
C18H23N3O2

M.W.:
313.40

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
94.35

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3245407

Name:
3-(5-(4-nitrophenoxy)pentyloxy)benzimidamide

Mol. Formula:
C18H21N3O4

M.W.:
343.38

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
111.47

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3245406

Name:
3-iodo-4-(5-(3-nitrophenoxy)pentyloxy)benzimidamide

Mol. Formula:
C18H20IN3O4

M.W.:
469.28

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
111.47

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3245405

Name:
4-(5-(3-nitrophenoxy)pentyloxy)benzimidamide

Mol. Formula:
C18H21N3O4

M.W.:
343.38

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
111.47

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3245404

Name:
4,4'-(pentane-1,5-diylbis(oxy))bis(3-iodobenzimidamide)

Mol. Formula:
C19H22I2N4O2

M.W.:
592.22

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
118.20

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3245403

Name:
4-(5-(4-nitrophenoxy)pentyloxy)benzimidamide

Mol. Formula:
C18H21N3O4

M.W.:
343.38