Compounds

ALA4095315

Name:
(R)-2-(3-(6-octylnaphthalen-2-yl)-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxShow More⌵

Mol. Formula:
C25H33N5O

M.W.:
419.57

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.82

Polar Surface Area:
92.03

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3627770

Name:
(S)-2-(3-(4-phenethylphenyl)-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidaShow More⌵

Mol. Formula:
C21H24ClN5O

M.W.:
397.91

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
92.03

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3627769

Name:
(S)-2-(3-(biphenyl-4-yl)-1,2,4-oxadiazol-5-yl)azetidine-1-carboximidamide hShow More⌵

Mol. Formula:
C18H18ClN5O

M.W.:
355.83

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
92.03

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3627768

Name:
(S)-2-(3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide Show More⌵

Mol. Formula:
C13H15ClIN5O

M.W.:
419.65

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
92.03

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1093396

Name:
1-Carbamimidoyl-N-(4-decylphenyl)cyclopropanecarboxamide Hydrochloride

Mol. Formula:
C21H34ClN3O

M.W.:
379.98

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
78.97

HBA:
2

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA1093395

Name:
N-(1-Carbamimidoylcyclopropyl)-4-hexadecylbenzamide Hydrochloride

Mol. Formula:
C27H46ClN3O

M.W.:
464.14

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.91

Polar Surface Area:
78.97

HBA:
2

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA1092482

Name:
N-(1-Carbamimidoylcyclopropyl)-4-tetradecylbenzamide Hydrochloride

Mol. Formula:
C25H42ClN3O

M.W.:
436.08

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.13

Polar Surface Area:
78.97

HBA:
2

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA1092481

Name:
N-(1-Carbamimidoylcyclopropyl)-4-dodecylbenzamide Hydrochloride

Mol. Formula:
C23H38ClN3O

M.W.:
408.03

11 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.35

Polar Surface Area:
78.97

HBA:
2

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA1094025

Name:
N-(1-Carbamimidoylcyclopropyl)-4-decylbenzamide Hydrochloride

Mol. Formula:
C21H34ClN3O

M.W.:
379.98

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
78.97

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1094024

Name:
N-(1-Carbamimidoylcyclopropyl)-4-octylbenzamide Hydrochloride

Mol. Formula:
C19H30ClN3O

M.W.:
351.92

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
78.97

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA1092716

Name:
(R)-N-(1-Amino-1-iminopropan-2-yl)-4-octylbenzamide Hydrochloride

Mol. Formula:
C18H30ClN3O

M.W.:
339.91

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
78.97

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA1092466

Name:
N-(2-Amino-2-iminoethyl)-4-octylbenzamide Hydrochloride

Mol. Formula:
C17H28ClN3O

M.W.:
325.88

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
78.97

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA1092117

Name:
(S)-N-(1-Amino-1-oxopropan-2-yl)-4-octylbenzamide

Mol. Formula:
C18H28N2O2

M.W.:
304.43

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
72.19

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1093700

Name:
(S)-2-(4-Octylbenzamido)propanoic Acid

Mol. Formula:
C18H27NO3

M.W.:
305.42

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1092375

Name:
(S)-N-(1-Amino-1-iminopropan-2-yl)-4-octylbenzamide Hydrochloride

Mol. Formula:
C18H30ClN3O

M.W.:
339.91

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
78.97

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA1090708

Name:
(R)-2-amino-2-((S)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol

Mol. Formula:
C21H35NO

M.W.:
317.52

9 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA1092111

Name:
(R)-2-amino-2-(6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl)propane-1,3-diol

Mol. Formula:
C21H35NO2

M.W.:
333.52

7 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
66.48

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA238434

Name:
((1S,3R)-1-amino-3-(4-octylphenyl)cyclopentyl)methanol

Mol. Formula:
C20H33NO

M.W.:
303.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA241635

Name:
((1R,3R)-1-amino-3-(4-octylphenyl)cyclopentyl)methanol

Mol. Formula:
C20H33NO

M.W.:
303.49

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA238649

Name:
((1S,3S)-1-amino-3-(4-octylphenyl)cyclopentyl)methanol

Mol. Formula:
C20H33NO

M.W.:
303.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.66

DETAILS