Compounds

ALA4873861

Name:
5-(Methylene(N,N-dimethyl-N-(2-myristoylaminoethyl)ammonium))-2-propyl-8-meShow More⌵

Mol. Formula:
C31H56ClN3O3

M.W.:
554.26

39 activity values

20 unique targets

Type:
Unknown

AlogP:
7.21

Polar Surface Area:
60.45

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4873630

Name:
5-Hydroxymethyl-6-(methylene(N,N-dimethyl-N-(2-myristoyloxyethyl)ammonium))Show More⌵

Mol. Formula:
C30H53ClN2O5

M.W.:
557.22

39 activity values

20 unique targets

Type:
Unknown

AlogP:
6.35

Polar Surface Area:
77.88

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4865851

Name:
5-Hydroxymethyl-6-(methylene(N,N-dimethyl-N-(2-myristoylaminoethyl)ammoniumShow More⌵

Mol. Formula:
C30H54ClN3O4

M.W.:
556.23

55 activity values

21 unique targets

Type:
Unknown

AlogP:
5.92

Polar Surface Area:
80.68

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4854835

Name:
5-(Methylene(N,N-dimethyl-N-(2-myristoyloxyethyl)ammonium))-2,2,8-trimethylShow More⌵

Mol. Formula:
C29H51ClN2O4

M.W.:
527.19

39 activity values

20 unique targets

Type:
Unknown

AlogP:
6.86

Polar Surface Area:
57.65

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4853632

Name:
5-(Methylene(N,N-dimethyl-N-(3-stearoylaminopropyl)ammonium))-2,2,8-trimethShow More⌵

Mol. Formula:
C34H62ClN3O3

M.W.:
596.34

26 activity values

16 unique targets

Type:
Unknown

AlogP:
8.38

Polar Surface Area:
60.45

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4852922

Name:
5-(Methylene(N,N-dimethyl-N-(2-lauroylaminoethyl)ammonium))-2-propyl-8-methShow More⌵

Mol. Formula:
C29H52ClN3O3

M.W.:
526.21

57 activity values

21 unique targets

Type:
Unknown

AlogP:
6.43

Polar Surface Area:
60.45

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4848682

Name:
5-(Methylene(N,N-dimethyl-N-(2-myristoyloxyethyl)ammonium))-2-propyl-8-methShow More⌵

Mol. Formula:
C30H53ClN2O4

M.W.:
541.22

39 activity values

20 unique targets

Type:
Unknown

AlogP:
7.25

Polar Surface Area:
57.65

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4848564

Name:
5-(Methylene(N,N-dimethyl-N-(3-lauroyloxypropyl)ammonium))-2-propyl-8-methyShow More⌵

Mol. Formula:
C29H51ClN2O4

M.W.:
527.19

39 activity values

20 unique targets

Type:
Unknown

AlogP:
6.86

Polar Surface Area:
57.65

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4848251

Name:
5-(Methylene(N,N-dimethyl-N-(2-myristoylaminoethyl)ammonium))-2,2,8-trimethShow More⌵

Mol. Formula:
C29H52ClN3O3

M.W.:
526.21

39 activity values

20 unique targets

Type:
Unknown

AlogP:
6.43

Polar Surface Area:
60.45

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.20

DETAILS