Compounds

ALA5271752

Name:

Mol. Formula:
C20H26O7

M.W.:
378.42

Type:
---

AlogP:
0.72

Polar Surface Area:
105.59

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5271534

Name:
3-methyl-7-((4-methylbenzyl)oxy)-2,3-dihydronaphtho[1,2-b]furan-4,5-dione

Mol. Formula:
C21H18O4

M.W.:
334.37

Type:
---

AlogP:
3.72

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5271424

Name:
2-((4-(4-chlorophenyl)-6-(4-nitrophenyl)pyrimidin-2-yl)thio)-N-(4-(3-(3,4-dShow More⌵

Mol. Formula:
C35H27ClN4O6S

M.W.:
667.14

Type:
---

AlogP:
8.02

Polar Surface Area:
133.55

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA5270588

Name:
Bruceantinol

Mol. Formula:
C29H36O13

M.W.:
592.59

Type:
---

AlogP:
0.59

Polar Surface Area:
192.19

HBA:
13

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5268863

Name:
N-(4,6-dimethylpyrimidin-2-yl)-4-methyl-7,8,9,10-tetrahydrobenzo[h]quinazolShow More⌵

Mol. Formula:
C19H21N5

M.W.:
319.41

Type:
---

AlogP:
3.97

Polar Surface Area:
63.59

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5267904

Name:
3-((2,4-dichlorophenoxy)methyl)-5-(trichloromethyl)-1,2,4-oxadiazole

Mol. Formula:
C10H5Cl5N2O2

M.W.:
362.43

Type:
---

AlogP:
4.78

Polar Surface Area:
48.15

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5280162

Name:
(S)-2-((S)-2-((S)-2-aminopropanamido)-3-(4-(phosphonooxy)phenyl)propanamidoShow More⌵

Mol. Formula:
C18H28N3O8P

M.W.:
445.41

Type:
---

AlogP:
0.15

Polar Surface Area:
188.28

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5280147

Name:
2,3,4,5,6-pentafluoro-N-(4-hydroxy-3-(phenylthio)naphthalen-1-yl)benzenesulShow More⌵

Mol. Formula:
C22H12F5NO3S2

M.W.:
497.47

Type:
---

AlogP:
6.19

Polar Surface Area:
66.40

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5279594

Name:
4-(N-([1,1'-biphenyl]-4-ylmethyl)-2-(N,4-dimethylphenylsulfonamido)acetamidShow More⌵

Mol. Formula:
C30H28N2O6S

M.W.:
544.63

Type:
---

AlogP:
4.92

Polar Surface Area:
115.22

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5279368

Name:
(3R,5S,E)-7-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)hept-1-ene-3,5-Show More⌵

Mol. Formula:
C24H32O7

M.W.:
432.51

Type:
---

AlogP:
3.49

Polar Surface Area:
86.61

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5278293

Name:
5,5'-(pentane-1,5-diyl)bis(2-methylcyclohexa-2,5-diene-1,4-dione)

Mol. Formula:
C19H20O4

M.W.:
312.36

Type:
---

AlogP:
2.99

Polar Surface Area:
68.28

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5277946

Name:
(2S)-6-amino-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-4-methyl-2-[(2S)-3-[4-(phosShow More⌵

Mol. Formula:
C36H61N8O12P

M.W.:
828.90

Type:
---

AlogP:
-1.35

Polar Surface Area:
333.86

HBA:
12

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA5277311

Name:
(1E,4E,6E)-1-(4-hydroxyphenyl)-7-(4-methoxyphenyl)hepta-1,4,6-trien-3-one

Mol. Formula:
C20H18O3

M.W.:
306.36

Type:
---

AlogP:
4.25

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5276499

Name:
6-{[(pyridin-2-yl)amino](3,4,5-trimethoxyphenyl)methyl}-2H-1,3-benzodioxol-Show More⌵

Mol. Formula:
C22H22N2O6

M.W.:
410.43

Type:
---

AlogP:
3.74

Polar Surface Area:
91.30

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5276387

Name:
(3R,E)-1,7-bis(3,4-dimethoxyphenyl)-5-methoxyhept-6-en-3-ol

Mol. Formula:
C24H32O6

M.W.:
416.51

Type:
---

AlogP:
4.13

Polar Surface Area:
66.38

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5276064

Name:
(S)-4-methyl-2-((S)-3-(4-(phosphonooxy)phenyl)-2-((S)-pyrrolidine-2-carboxaShow More⌵

Mol. Formula:
C20H30N3O8P

M.W.:
471.45

Type:
---

AlogP:
0.55

Polar Surface Area:
174.29

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5275055

Name:
(E)-4-(3-(4-nitrobenzylidene)-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl)benShow More⌵

Mol. Formula:
C24H16N2O5

M.W.:
412.40

Type:
---

AlogP:
4.76

Polar Surface Area:
100.75

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5273560

Name:
4-(5-(butylthio)-1,3,4-oxadiazol-2-yl)aniline

Mol. Formula:
C12H15N3OS

M.W.:
249.34

Type:
---

AlogP:
3.21

Polar Surface Area:
64.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5284089

Name:
4-((2-(piperazin-1-yl)phenyl)amino)-2a1,5a-dihydro-5H-naphtho[1,8-cd]isothiShow More⌵

Mol. Formula:
C20H20N4O3S

M.W.:
396.47

Type:
---

AlogP:
1.45

Polar Surface Area:
90.87

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5282950

Name:
2-((4-methyl-6-morpholinoquinazolin-2-yl)amino)quinazolin-4(1H)-one

Mol. Formula:
C21H20N6O2

M.W.:
388.43

Type:
---

AlogP:
2.75

Polar Surface Area:
96.03

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS