Compounds

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
127.32

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3577349

Name:
(R)-4-guanidinobutyl 1-imino-3-octyl-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrShow More⌵

Mol. Formula:
C21H38N6O2

M.W.:
406.58

8 activity values

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
127.32

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3577348

Name:
(R)-4-guanidinobutyl 3-heptyl-1-imino-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyShow More⌵

Mol. Formula:
C20H36N6O2

M.W.:
392.55

8 activity values

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
127.32

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3427721

Name:
7-(diethylamino)-3-(4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2Show More⌵

Mol. Formula:
C18H22N4O3

M.W.:
342.40

19 activity values

Type:
Small molecule

AlogP:
2.14

Polar Surface Area:
84.39

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3427720

Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[3-[1-Show More⌵

Mol. Formula:
C64H100N24O13S

M.W.:
1445.73

21 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3427719

Name:
3-azido-7-(diethylamino)-2H-chromen-2-one

Mol. Formula:
C13H14N4O2

M.W.:
258.28

18 activity values

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
82.21

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3427718

Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-guanidShow More⌵

Mol. Formula:
C51H86N20O11S

M.W.:
1187.44

18 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2261180

Name:
n-Propyl 2-(3-Methoxyphenoxy)acetate

Mol. Formula:
C12H16O4

M.W.:
224.26

Type:
Small molecule

AlogP:
2.03

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2261179

Name:
n-Amyl 2-(2-methoxyphenoxy)acetate

Mol. Formula:
C14H20O4

M.W.:
252.31

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2261178

Name:
Methyl 2-(2-methoxyphenoxy)acetate

Mol. Formula:
C10H12O4

M.W.:
196.20

Type:
Small molecule

AlogP:
1.25

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2261177

Name:
4-Chlorophenyl 2-(2-methoxy-4-methylphenoxy)acetate

Mol. Formula:
C16H15ClO4

M.W.:
306.75

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2261176

Name:
n-Amyl 2-(2-methoxy-4-methylphenoxy)acetate

Mol. Formula:
C15H22O4

M.W.:
266.34

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2261175

Name:
n-Propyl 2-(2-methoxy-4-methylphenoxy)acetate

Mol. Formula:
C13H18O4

M.W.:
238.28

Type:
Small molecule

AlogP:
2.34

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2261174

Name:
Isopropyl 2-(2-methoxy-4-methylphenoxy)acetate

Mol. Formula:
C13H18O4

M.W.:
238.28

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2261173

Name:
Isopropyl 4-methylphenoxyacetate

Mol. Formula:
C12H16O3

M.W.:
208.26

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2259653

Name:
n-Amyl phenoxyacetate

Mol. Formula:
C13H18O3

M.W.:
222.28