Compounds

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)gua
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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

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)gua
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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)gu
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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
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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)dip
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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

ALA4778444

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

ALA4795780

Name:
6-(2-Aminoimidazolino)-6'-[2-(propyl)guanidino]dip
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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]pyri
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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
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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)ben
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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

ALA4800044

Name:
{4-[3-(Propyl)guanidino]-4'-(2-aminoimidazolino)}-
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Mol. Formula:
C21H30Cl2N6

M.W.:
437.42

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
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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-aminoimi
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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

ALA3986997

Name:
2-Benzylamino-1-propyl-1,4-dihydroquinazoline

Mol. Formula:
C18H21N3

M.W.:
279.39

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
27.63

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA3986826

Name:
2-(Hydroxyethylamino)-8,9-dihydro-5H-[1,3]dioxolo[
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Mol. Formula:
C12H15N3O3

M.W.:
249.27

Type:
Small molecule

AlogP:
0.32

Polar Surface Area:
75.11

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3978715

Name:
1-(benzo[d][1,3]dioxol-5-ylmethyl)-N-benzyl-1,4-di
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Mol. Formula:
C23H21N3O2

M.W.:
371.44

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
46.09

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3978568

Name:
2-Hydroxyethylamino-4,5-dihydro-1,3-benzodiazepine

Mol. Formula:
C11H15N3O

M.W.:
205.26

Type:
Small molecule

AlogP:
0.59

Polar Surface Area:
56.65

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3977625

Name:
2-Hydroxyethylamino-7-dimethylamino-4,5-dihydro-1H
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Mol. Formula:
C13H20N4O

M.W.:
248.33