Compounds

Type:
Unknown

AlogP:
3.19

Polar Surface Area:
84.33

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4799288

Name:
2-Guanidino-5-[(2-aminoimidazolino)benzyl]pyridine dihydrochloride

Mol. Formula:
C16H21Cl2N7

M.W.:
382.30

Type:
Unknown

AlogP:
1.35

Polar Surface Area:
111.21

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4798553

Name:
2-[2-(Furanyl-2-methyl)guanidino]-5-[4-(2-aminoimidazolino)benzyl]pyridine Show More⌵

Mol. Formula:
C21H25Cl2N7O

M.W.:
462.39

7 activity values

Type:
Unknown

AlogP:
2.77

Polar Surface Area:
110.36

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4795780

Name:
6-(2-Aminoimidazolino)-6'-[2-(propyl)guanidino]dipirydinyl-3-methane dihydrShow More⌵

Mol. Formula:
C18H26Cl2N8

M.W.:
425.37

Type:
Unknown

AlogP:
1.78

Polar Surface Area:
110.11

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4795084

Name:
2-[(2-Aminoimidazolino)-5-(4-guanidino)benzyl]pyridinedihydrochloride

Mol. Formula:
C16H21Cl2N7

M.W.:
382.30

Type:
Unknown

AlogP:
1.35

Polar Surface Area:
111.21

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4790650

Name:
6-(2-Aminoimidazolino)-6'-(guanidino)dipyridinyl-3-methane dihydrochloride

Mol. Formula:
C15H20Cl2N8

M.W.:
383.29

Type:
Unknown

AlogP:
0.74

Polar Surface Area:
124.10

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4787567

Name:
2-(2-Aminoimidazolino)-5[(4-(2-propylguanidino)benzyl]pyridine dihydrochlorShow More⌵

Mol. Formula:
C19H27Cl2N7

M.W.:
424.38

Type:
Unknown

AlogP:
2.39

Polar Surface Area:
97.22

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4778444

Name:
4,4'-Di[3-(furanyl-2-methyl)guanidino]diphenylmethane dihydrochloride

Mol. Formula:
C25H28Cl2N6O2

M.W.:
515.45

Type:
Unknown

AlogP:
4.74

Polar Surface Area:
122.10

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4764564

Name:
1-(2,3,5,6,7,8-hexahydroisoquinolin-3-yl)guanidine

Mol. Formula:
C10H16N4

M.W.:
192.27

Type:
Unknown

AlogP:
0.78

Polar Surface Area:
73.93

HBA:
2

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4763113

Name:
4-(2-Aminoimidazolino)-4'-[3-(furanyl-2-methyl)guanidino]diphenylmethane diShow More⌵

Mol. Formula:
C22H26Cl2N6O

M.W.:
461.40

7 activity values

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
97.47

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4762029

Name:
{4-(2-Aminoimidazolino)-4'-[3-(furanyl-2-methyl)guanidino]}-1,2-diphenylethShow More⌵

Mol. Formula:
C23H28Cl2N6O

M.W.:
475.42

Type:
Unknown

AlogP:
3.57

Polar Surface Area:
97.47

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4759811

Name:
4,4'-Di[3-(hydroxyethyl)guanidino]diphenylmethane dihydrochloride

Mol. Formula:
C19H28Cl2N6O2

M.W.:
443.38

Type:
Unknown

AlogP:
1.13

Polar Surface Area:
136.28

HBA:
4

HBD:
8

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4755913

Name:
4-[3-(Propyl)guanidino]-4'-(2-aminoimidazolino)diphenylmethane dihydrochlorShow More⌵

Mol. Formula:
C20H28Cl2N6

M.W.:
423.39

7 activity values

Type:
Unknown

AlogP:
2.99

Polar Surface Area:
84.33

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4748073

Name:
4,4'-Di[3-(propy)guanidino]diphenylmethane dihydrochloride

Mol. Formula:
C21H32Cl2N6

M.W.:
439.44

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
95.82

HBA:
2

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4747130

Name:
2-[2-Aminoimidazolino]-5-{4-[3-(furanyl-2-methyl)guanidino]benzyl}pyridine Show More⌵

Mol. Formula:
C21H25Cl2N7O

M.W.:
462.39

Type:
Unknown

AlogP:
2.77

Polar Surface Area:
110.36

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4745647

Name:
2-(2-(Propyl)guanidino)]-5[4-(2-aminoimidazolino)benzyl]pyridine dihydrochlShow More⌵

Mol. Formula:
C19H27Cl2N7

M.W.:
424.38

Type:
Unknown

AlogP:
2.39

Polar Surface Area:
97.22

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4744028

Name:
6-(2-Aminoimidazolino)-6'-[2-(furanyl-2-methyl)guanidino]dipirydinyl-3-methShow More⌵

Mol. Formula:
C20H24Cl2N8O

M.W.:
463.37

Type:
Unknown

AlogP:
2.17

Polar Surface Area:
123.25

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4130226

Name:
1-(3-Cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)guanidine hydrochloridShow More⌵

Mol. Formula:
C9H11ClN4S

M.W.:
242.74

Type:
Small molecule

AlogP:
1.41

Polar Surface Area:
85.69

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4129427

Name:
1-(Thiophen-2-ylethyl)guanidine hydrochloride

Mol. Formula:
C7H12ClN3S

M.W.:
205.71

Type:
Small molecule

AlogP:
0.77

Polar Surface Area:
61.90

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4129213

Name:
1-[5,6-Dihydro-4H-cyclopenta[d]thiazol-2-yl]guanidine hydrochloride

Mol. Formula:
C7H11ClN4S

M.W.:
218.71

4 activity values