Compounds

Type:
Unknown

AlogP:
3.48

Polar Surface Area:
68.55

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4514364

Name:
4-[(Dimethylamino)methyl]-7-{[4-(hydroxymethyl)ben
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Mol. Formula:
C20H21NO4

M.W.:
339.39

5 activity values

Type:
Unknown

AlogP:
2.93

Polar Surface Area:
62.91

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4514178

Name:
1-ethyl-6-(2-(4-methoxyphenoxy)ethoxy)-1H-benzo[d]
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Mol. Formula:
C18H20N2O4

M.W.:
328.37

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.82

Polar Surface Area:
65.48

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4483392

Name:
8-((2-(3-Chlorophenyl)thiazol-4-yl)methyl)-1,3-dim
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Mol. Formula:
C20H19ClN6O2S

M.W.:
442.93

15 activity values

9 unique targets

Type:
Unknown

AlogP:
2.23

Polar Surface Area:
77.95

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4476672

Name:
8-(4-Chlorophenyl)-1,3-dimethyl-6,7,8,9-tetrahydro
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Mol. Formula:
C16H16ClN5O2

M.W.:
345.79

11 activity values

6 unique targets

Type:
Unknown

AlogP:
1.11

Polar Surface Area:
65.06

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4476431

Name:
3-(3-(4,5-Dihydro-1H-imidazol-2-yl)phenyl)-5-(thio
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Mol. Formula:
C15H12N4OS

M.W.:
296.36

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
63.31

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4476259

Name:
5-Cyclopropyl-3-(4-(4,5-dihydro-1H-imidazol-2-yl)p
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Mol. Formula:
C14H14N4O

M.W.:
254.29

Type:
Unknown

AlogP:
1.96

Polar Surface Area:
63.31

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4476198

Name:
(E)-1-(Prop-2-yn-1-yl)-4-(2,4,5-trifluorostyryl)pi
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Mol. Formula:
C16H16F3N

M.W.:
279.31

Type:
Unknown

AlogP:
3.46

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4476196

Name:
1-methyl-6-(3-phenylpropoxy)-1H-benzo[d]imidazol-2
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Mol. Formula:
C17H18N2O2

M.W.:
282.34

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
47.02

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4474238

Name:
8-(2,4-Dichlorophenethyl)-1,3-dimethyl-6,7,8,9-tet
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Mol. Formula:
C18H19Cl2N5O2

M.W.:
408.29

9 activity values

7 unique targets

Type:
Unknown

AlogP:
1.80

Polar Surface Area:
65.06

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4474206

Name:
1-ethyl-6-(3-(3-fluorophenoxy)propoxy)-1H-benzo[d]
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Mol. Formula:
C18H20N2O3

M.W.:
312.37

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.20

Polar Surface Area:
56.25

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4474165

Name:
8-(2-(1H-Pyrrol-1-yl)ethyl)-1,3-dimethyl-6,7,8,9-t
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Mol. Formula:
C16H20N6O2

M.W.:
328.38

15 activity values

7 unique targets

Type:
Unknown

AlogP:
-0.25

Polar Surface Area:
69.99

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4540576

Name:
N-(2',3'-Dimethylphenyl)-4-oxo-4H-chromene-3-carbo
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Mol. Formula:
C18H15NO3

M.W.:
293.32

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
59.31

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4540395

Name:
1,3-Dimethyl-8-((2-(thiophen-2-yl)thiazol-4-yl)met
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Mol. Formula:
C18H18N6O2S2

M.W.:
414.52

18 activity values

9 unique targets

Type:
Unknown

AlogP:
1.63

Polar Surface Area:
77.95

HBA:
10

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4540338

Name:
(2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)-N-benzyl-2-cy
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Mol. Formula:
C20H16N2O3

M.W.:
332.36

Type:
Unknown

AlogP:
3.19

Polar Surface Area:
71.35

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4540147

Name:
N-Methyl-N-{2-[5-methyl-1-(alpha-methyl)benzyl-1H-
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Mol. Formula:
C17H22N4

M.W.:
282.39

Type:
Unknown

AlogP:
2.30

Polar Surface Area:
33.95

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4539823

Name:
1-(Prop-2-yn-1-yl)-4-(3-(trifluoromethyl)phenethyl
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Mol. Formula:
C17H20F3N

M.W.:
295.35

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4539821

Name:
N-Methyl-N-[2-(1-phenethyl-1H-1,2,3-triazol-4-yl)e
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Mol. Formula:
C16H20N4

M.W.:
268.36

Type:
Unknown

AlogP:
1.63

Polar Surface Area:
33.95

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4539746

Name:
3-((p-Tolylamino)methyl)-4H-chromen-4-one

Mol. Formula:
C17H15NO2

M.W.:
265.31

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
42.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4539578

Name:
7-({3-[(dimethylamino)methyl]benzyl}oxy)-4-(hydrox
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Mol. Formula:
C20H21NO4

M.W.:
339.39