Compounds

ALA4100146

Name:
2-(4-iodophenyl)guanidine

Cas Number:
45964-99-6

Mol. Formula:
C7H8IN3

M.W.:
261.07

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.20

Polar Surface Area:
64.40

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2425684

Name:
rac-5-(4-(pyrrolidin-3-yloxy)phenyl)-2-ureidothiop
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Mol. Formula:
C16H18N4O3S

M.W.:
346.41

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
119.47

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2424670

Name:
rac-5-(3-(pyrrolidin-3-yloxy)phenyl)-2-ureidothiop
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Mol. Formula:
C16H18N4O3S

M.W.:
346.41

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
119.47

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2425627

Name:
5-(2-(azetidin-3-yloxy)phenyl)-2-ureidothiophene-3
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Mol. Formula:
C15H16N4O3S

M.W.:
332.39

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.36

Polar Surface Area:
119.47

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2425626

Name:
rac-5-(5-cyano-2-(pyrrolidin-3-yloxy)phenyl)-2-ure
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Mol. Formula:
C17H17N5O3S

M.W.:
371.42

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.62

Polar Surface Area:
143.26

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2425625

Name:
5-(2-(piperidin-4-yloxy)phenyl)-2-ureidothiophene-
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Mol. Formula:
C17H20N4O3S

M.W.:
360.44

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.14

Polar Surface Area:
119.47

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2425624

Name:
(R)-5-(2-(pyrrolidin-3-yloxy)phenyl)-2-ureidothiop
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Mol. Formula:
C16H18N4O3S

M.W.:
346.41

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
119.47

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2425623

Name:
(S)-5-(2-(pyrrolidin-3-yloxy)phenyl)-2-ureidothiop
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Mol. Formula:
C16H18N4O3S

M.W.:
346.41

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
119.47

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2425622

Name:
2-(2-(3-aminopropoxy)phenyl)-5-ureidothiazole-4-ca
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Mol. Formula:
C14H17N5O3S

M.W.:
335.39

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.13

Polar Surface Area:
146.35

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2425621

Name:
2-(2-(2-aminoethoxy)phenyl)-5-ureidothiazole-4-car
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Mol. Formula:
C13H15N5O3S

M.W.:
321.36

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.74

Polar Surface Area:
146.35

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2425620

Name:
rac-3-(2-(4-carbamoyl-5-ureidothiophen-2-yl)phenox
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Mol. Formula:
C18H23N4O3S+

M.W.:
375.47

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.23

Polar Surface Area:
107.44

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2074704

Name:
Tetrapentylammonium

Cas Number:
15959-61-2

Mol. Formula:
C20H44N+

M.W.:
298.58

11 activity values

5 unique targets

Type:
Small molecule

AlogP:
6.56

Polar Surface Area:
0.00

HBA:
---

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.22

DETAILS