Compounds

Type:
Unknown

AlogP:
3.05

Polar Surface Area:
52.04

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4797425

Name:
N-(4-(4-(2-Acetamidoethyl)-2-methylbenzyl)-2-isopropylphenyl)-N-ethylacetamShow More⌵

Mol. Formula:
C25H34N2O2

M.W.:
394.56

Type:
Unknown

AlogP:
4.76

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4794080

Name:
N-(4-(4-(2-Aminoethyl)-2-methylbenzyl)-2-isopropylphenyl)-N-ethylacetamide

Mol. Formula:
C23H32N2O

M.W.:
352.52

Type:
Unknown

AlogP:
4.58

Polar Surface Area:
46.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4793672

Name:
N-(4-(4-(2-Aminoethoxy)-2-methylbenzyl)phenyl)acetamide

Mol. Formula:
C18H22N2O2

M.W.:
298.39

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
64.35

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4787435

Name:
N-(4-(4-(2-Aminoethyl)-2-methylbenzyl)phenyl)acetamide

Mol. Formula:
C18H22N2O

M.W.:
282.39

Type:
Unknown

AlogP:
3.05

Polar Surface Area:
55.12

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4781549

Name:
N-(2-(4-(4-Acetamidobenzyl)phenoxy)ethyl)acetamide

Mol. Formula:
C19H22N2O3

M.W.:
326.40

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
67.43

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4778177

Name:
4-(4-(2-Aminoethyl)-2-methylbenzyl)-N-ethyl-2-isopropylaniline

Mol. Formula:
C21H30N2

M.W.:
310.49

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
38.05

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4778053

Name:
4-(4-(2-Aminoethoxy)-2,6-dimethylbenzyl)aniline

Mol. Formula:
C17H22N2O

M.W.:
270.38

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
61.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4764889

Name:
N-(4-(4-(2-Aminoethoxy)benzyl)phenyl)acetamide

Mol. Formula:
C17H20N2O2

M.W.:
284.36

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
64.35

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4763482

Name:
4-(4-(2-(3-Carbamimidoylguanidino)ethoxy)-2-methylbenzyl)-aniline

Mol. Formula:
C18H24N6O

M.W.:
340.43

Type:
Unknown

AlogP:
1.55

Polar Surface Area:
133.03

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4761622

Name:
4-(4-(2-Aminoethyl)-2,6-dimethylbenzyl)aniline

Mol. Formula:
C17H22N2

M.W.:
254.38

Type:
Unknown

AlogP:
2.98

Polar Surface Area:
52.04

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4744061

Name:
4'-(2-Aminoethyl)-2'-methyl-[1,1'-biphenyl]-4-amine

Mol. Formula:
C15H18N2

M.W.:
226.32

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
52.04

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA4741475

Name:
N-(2-(4-(4-Acetamidobenzyl)-3-methylphenoxy)ethyl)acetamide

Mol. Formula:
C20H24N2O3

M.W.:
340.42

Type:
Unknown

AlogP:
3.06

Polar Surface Area:
67.43

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4741294

Name:
N-(4-(4-(2-(3-Carbamimidoylguanidino)ethoxy)-2-methylbenzyl)phenyl)acetamidShow More⌵

Mol. Formula:
C20H26N6O2

M.W.:
382.47

Type:
Unknown

AlogP:
1.93

Polar Surface Area:
136.11

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4172220

Name:
N-{[4-(2-Chlorophenyl)piperazin-1-yl]-(imino)methyl}guanidine dihydrochloriShow More⌵

Mol. Formula:
C12H19Cl3N6

M.W.:
353.69

3 activity values

Type:
Small molecule

AlogP:
0.67

Polar Surface Area:
94.73

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4162640

Name:
N-{Imino-[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}guanidine dihydrochloride

Mol. Formula:
C10H18Cl2N8

M.W.:
321.22

3 activity values

Type:
Small molecule

AlogP:
-1.19

Polar Surface Area:
120.51

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4115763

Name:
US8802673, 191

Mol. Formula:

M.W.:

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4115577

Name:
US9416127, 18

Mol. Formula:
C20H21N5O2

M.W.:
363.42

Type:
Small molecule

AlogP:
2.49

Polar Surface Area:
81.07

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4115571

Name:
US9416127, 24

Mol. Formula:
C20H21N5O2

M.W.:
363.42

Type:
Small molecule

AlogP:
2.49

Polar Surface Area:
81.07

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4115499

Name:
US9452980, 310

Mol. Formula:
C17H18ClN3O2

M.W.:
331.80