Compounds

N-(6-aminohexyl)acetamide

Name:
N-(6-Amino-hexyl)-acetamide

Mol. Formula:
C8H18N2O

M.W.:
158.24

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.64

Polar Surface Area:
55.12

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA177890

Name:
N-(10-Amino-decyl)-acetamide

Mol. Formula:
C12H26N2O

M.W.:
214.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
55.12

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA177777

Name:
N-(8-Amino-octyl)-methanesulfonamide

Mol. Formula:
C9H22N2O2S

M.W.:
222.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.83

Polar Surface Area:
72.19

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA176764

Name:
(8-Amino-octyl)-carbamic acid methyl ester

Mol. Formula:
C10H22N2O2

M.W.:
202.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.64

Polar Surface Area:
64.35

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA175307

Name:
7-(3-Morpholin-4-yl-propylamino)-heptan-2-one

Mol. Formula:
C14H28N2O2

M.W.:
256.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.45

Polar Surface Area:
41.57

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA175345

Name:
7-(4-Methyl-piperazin-1-yl)-heptan-2-one

Mol. Formula:
C12H24N2O

M.W.:
212.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.38

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA174887

Name:
N-(6-Amino-hexyl)-2-chloro-acetamide

Mol. Formula:
C8H17ClN2O

M.W.:
192.69

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.86

Polar Surface Area:
55.12

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA173782

Name:
7-(3-Amino-propylamino)-heptan-2-one

Mol. Formula:
C10H22N2O

M.W.:
186.30

Type:
Small molecule

AlogP:
1.07

Polar Surface Area:
55.12

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA368970

Name:
(6-Amino-hexyl)-carbamic acid methyl ester

Mol. Formula:
C8H18N2O2

M.W.:
174.24

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.86

Polar Surface Area:
64.35

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA176843

Name:
7-Amino-heptan-2-one

Mol. Formula:
C7H15NO

M.W.:
129.20

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.09

Polar Surface Area:
43.09

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA367753

Name:
7-(3-Diethylamino-propylamino)-heptan-2-one

Mol. Formula:
C14H30N2O

M.W.:
242.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.46

Polar Surface Area:
32.34

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA176596

Name:
7-(3-Dimethylamino-propylamino)-heptan-2-one

Mol. Formula:
C12H26N2O

M.W.:
214.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.68

Polar Surface Area:
32.34

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA177217

Name:
N-(4-Amino-butyl)-butyramide

Mol. Formula:
C8H18N2O

M.W.:
158.24

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.64

Polar Surface Area:
55.12

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA174669

Name:
N-(8-Amino-octyl)-acetamide

Mol. Formula:
C10H22N2O

M.W.:
186.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.42

Polar Surface Area:
55.12

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA436093

Name:
N-(6-Amino-hexyl)-methanesulfonamide

Mol. Formula:
C7H18N2O2S

M.W.:
194.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.05

Polar Surface Area:
72.19

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA176530

Name:
N-(4-Propylamino-butyl)-acetamide

Mol. Formula:
C9H20N2O

M.W.:
172.27

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.90

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA176800

Name:
N-[3-(4-Amino-butylamino)-propyl]-acetamide

Mol. Formula:
C9H21N3O

M.W.:
187.29

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
-0.16

Polar Surface Area:
67.15

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA293698

Name:
N-Buta-2,3-dienyl-N'-methyl-butane-1,4-diamine

Mol. Formula:
C9H18N2

M.W.:
154.26

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.92

Polar Surface Area:
24.06

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA59623

Name:
N-Methyl-N'-prop-2-ynyl-butane-1,4-diamine

Mol. Formula:
C8H16N2

M.W.:
140.23

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.21

Polar Surface Area:
24.06

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA59622

Name:
N*1*-Buta-2,3-dienyl-butane-1,4-diamine

Mol. Formula:
C8H16N2

M.W.:
140.23

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.66

Polar Surface Area:
38.05

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS