Compounds

Type:
---

AlogP:
2.46

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5192185

Name:
N-Ethynyl-4-(((4-(3-ethynylphenoxy)quinazolin-6-yl)oxy)methyl)-N-methylbenzShow More⌵

Mol. Formula:
C26H19N3O4S

M.W.:
469.52

23 activity values

13 unique targets

Type:
---

AlogP:
4.19

Polar Surface Area:
81.62

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5185622

Name:
N-((4-Ethynylphenyl)ethynyl)-N,4-dimethylbenzenesulfonamide

Mol. Formula:
C18H15NO2S

M.W.:
309.39

Type:
---

AlogP:
2.61

Polar Surface Area:
37.38

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4798897

Name:
Hexadecanoic acid(5,10,15,20-tetraphenyl-22,24-dihydro-porphin-2-yl)-amide

Mol. Formula:
C60H61N5O

M.W.:
868.18

Type:
Unknown

AlogP:
16.25

Polar Surface Area:
86.46

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4792955

Name:
N-[4-(10,15,20-Triphenyl-porphyrin-5-yl)-phenyl]-acetamide

Mol. Formula:
C46H33N5O

M.W.:
671.80

Type:
Unknown

AlogP:
11.28

Polar Surface Area:
86.46

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4778842

Name:
N-(5,10,15,20-Tetraphenyl-22,24-dihydro-porphin-2-yl)-acetamide

Mol. Formula:
C46H33N5O

M.W.:
671.80

Type:
Unknown

AlogP:
10.79

Polar Surface Area:
86.46

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4740890

Name:
Hexadecanoic acid[4-(10,15,20-triphenyl-porphyrin-5-yl)-phenyl]-amide

Mol. Formula:
C60H61N5O

M.W.:
868.18

Type:
Unknown

AlogP:
16.74

Polar Surface Area:
86.46

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4291821

Name:
1-(2,6-dichlorobenzylideneamino)-5-oxo-1,5-dihydro-10H-spiro[acridine-9,2-pShow More⌵

Mol. Formula:
C24H14Cl2N4O

M.W.:
445.31

Type:
Small molecule

AlogP:
5.62

Polar Surface Area:
68.49

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4288400

Name:
1-(2,4-dichlorobenzylideneamino)-5-oxo-1,5-dihydro-10H-spiro[acridine-9,2-pShow More⌵

Mol. Formula:
C24H14Cl2N4O

M.W.:
445.31

Type:
Small molecule

AlogP:
5.62

Polar Surface Area:
68.49

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4288186

Name:
1-(4-fluorobenzylideneamino)-5'-oxo-1,5-dihydro-10H-spiro[acridine-9,2-pyrrShow More⌵

Mol. Formula:
C24H15FN4O

M.W.:
394.41

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
68.49

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4287323

Name:
1-(4-nitrobenzylideneamino)-5-oxo-1,5-dihydro-10H-spiro[acridine-9,2-pyrrolShow More⌵

Mol. Formula:
C24H15N5O3

M.W.:
421.42

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
111.63

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4283961

Name:
1-(4-dimethylaminobenzylideneamino)-5-oxo-1,5-dihydro-10H-spiro[acridine-9,Show More⌵

Mol. Formula:
C26H21N5O

M.W.:
419.49

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
71.73

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4280513

Name:
1-(5-bromo-2-methoxybenzylideneamino)-5-oxo-1,5-dihydro-10H-spiro[acridine-Show More⌵

Mol. Formula:
C25H17BrN4O2

M.W.:
485.34

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
77.72

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4280279

Name:
1-(4-chlorobenzylideneamino)-5-oxo-1,5-dihydro-10H-spiro[acridine-9,2-pyrroShow More⌵

Mol. Formula:
C24H15ClN4O

M.W.:
410.86

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
68.49

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4280100

Name:
1-(3-ethoxy-4-hydroxybenzylideneamino)-5-oxo-1,5-dihydro-10H-spiro[acridineShow More⌵

Mol. Formula:
C26H20N4O3

M.W.:
436.47

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
97.95

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4276676

Name:
1-(2-nitrobenzylideneamino)-5-oxo-1,5-dihydro-10H-spiro[acridine-9,2-pyrrolShow More⌵

Mol. Formula:
C24H15N5O3

M.W.:
421.42

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
111.63

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4217409

Name:
cis-9-hexadecenoic acid

Mol. Formula:
C17H32O

M.W.:
252.44

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4206290

Name:
cis-10-heptadecenoic acid

Mol. Formula:
C17H32O2

M.W.:
268.44

Type:
Small molecule

AlogP:
5.72

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

5-Hydroxyferulic acid

Name:
5-hydroxy-ferulic acid

Mol. Formula:
C10H10O5

M.W.:
210.19

2 activity values

Type:
Small molecule

AlogP:
1.20

Polar Surface Area:
86.99

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4174325

Name:
Isorugosin H

Mol. Formula:
C89H62O56

M.W.:
2027.42

2 activity values