Compounds

ALA5270720

Name:
(2E)-2-benzylidene-4,7-dimethyl-indan-1-one

Mol. Formula:
C18H16O

M.W.:
248.32

Type:
---

AlogP:
4.13

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5269374

Name:
(2E)-2-benzylidene-6,7-dimethyl-indan-1-one

Mol. Formula:
C18H16O

M.W.:
248.32

Type:
---

AlogP:
4.13

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4860306

Name:
(R)-4-amino-N-(1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl)-1-(7H-pyrrolo[2,Show More⌵

Mol. Formula:
C18H28ClN7O3

M.W.:
425.92

13 activity values

10 unique targets

Type:
Unknown

AlogP:
0.29

Polar Surface Area:
149.26

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

AT13148

Name:
AT-13148

Mol. Formula:
C17H16ClN3O

M.W.:
313.79

313 activity values

285 unique targets

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
74.93

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2368954

Name:
Carbonic acid (R)-2-imidazol-1-yl-3-octadecyloxy-propyl ester (1S,2S,3S)-2,Show More⌵

Mol. Formula:
C32H58N2O9

M.W.:
614.82

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
163.73

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA2368947

Name:
Phosphoric acid (R)-2-methoxy-3-octadecyloxy-propyl ester (1S,2S,3S)-2,3,4,Show More⌵

Mol. Formula:
C29H59O11P

M.W.:
614.75

11 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
175.37

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA2368946

Name:
Phosphoric acid (R)-2-imidazol-1-yl-3-octadecyloxy-propyl ester (1S,2S,3S)-Show More⌵

Mol. Formula:
C30H57N2O9P

M.W.:
620.76

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
163.73

HBA:
10

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA2368945

Name:
Phosphoric acid (R)-2-imidazol-1-yl-3-octadecyloxy-propyl ester (1S,2S,3S)-Show More⌵

Mol. Formula:
C31H59N2O10P

M.W.:
650.79

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
183.96

HBA:
11

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA2368944

Name:
Phosphoric acid (R)-2-hexadecanoyl-4-oxo-nonadecyl ester (1S,2S,3S)-2,3,4,6Show More⌵

Mol. Formula:
C41H79O10P

M.W.:
763.05

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
9.44

Polar Surface Area:
170.82

HBA:
9

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
36

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA2367876

Name:
Carbonic acid 2-methoxy-3-octadecyloxy-propyl ester 2,3,4,6-tetrahydroxy-cyShow More⌵

Mol. Formula:
C29H56O9

M.W.:
548.76

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
134.91

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA2367875

Name:
Phosphoric acid 2-methoxy-3-octadecyloxy-propyl ester 2,3,4,6-tetrahydroxy-Show More⌵

Mol. Formula:
C29H59O11P

M.W.:
614.75

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
175.37

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA2367874

Name:
Carbonic acid 2-methoxy-3-octadecyloxy-propyl ester 2,3,4,6-tetrahydroxy-5-Show More⌵

Mol. Formula:
C30H58O10

M.W.:
578.78

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
155.14

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA213618

Name:
N-((S)-1-amino-3-(2,4-dichlorophenyl)propan-2-yl)-5-(2-(methylamino)pyrimidShow More⌵

Mol. Formula:
C19H19Cl2N5OS

M.W.:
436.37

21 activity values

14 unique targets

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
92.93

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS