Compounds

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4483657

Name:
4-(4-(2-(2-Chlorophenoxy)acetyl)piperazin-1-yl)ben
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Mol. Formula:
C19H19ClN2O4

M.W.:
374.82

Type:
Unknown

AlogP:
2.77

Polar Surface Area:
70.08

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4483409

Name:
4-(2-(4-chlorophenylthio)acetyl)-2,6-dimethylpheny
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Cas Number:
344279-32-9

Mol. Formula:
C19H20ClNO3S

M.W.:
377.89

1 activity values

Type:
Unknown

AlogP:
4.99

Polar Surface Area:
46.61

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4476558

Name:
6-(3-(2-((2,3-dihydro-1H-inden-2-yl)amino)-7,8-dih
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Mol. Formula:
C26H25N5O3

M.W.:
455.52

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
104.12

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4476508

Name:
2-(4-Fluorophenoxy)-1-(4-(4-nitrophenyl)piperazin-
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Mol. Formula:
C18H18FN3O4

M.W.:
359.36

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
75.92

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4476410

Name:
4-(cyclooctanecarboxamido)phenyl 4-methylbenzenesu
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Mol. Formula:
C22H27NO4S

M.W.:
401.53

Type:
Unknown

AlogP:
5.06

Polar Surface Area:
72.47

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4475642

Name:
N-(2-(2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopro
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Mol. Formula:
C22H28N2O4

M.W.:
384.48

1 activity values

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
80.57

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4474763

Name:
1-(4-(3-Nitrophenyl)piperazin-1-yl)-2-(3-(trifluor
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Mol. Formula:
C19H18F3N3O4

M.W.:
409.36

Type:
Unknown

AlogP:
3.34

Polar Surface Area:
75.92

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4540251

Name:
3-(4-(2-(4-Fluorophenoxy)acetyl)piperazin-1-yl)ben
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Mol. Formula:
C19H19FN2O4

M.W.:
358.37

Type:
Unknown

AlogP:
2.25

Polar Surface Area:
70.08

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4540122

Name:
[3-[[4-[5-[(3,4-dichlorophenyl)methylene]-4-oxothi
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Mol. Formula:
C21H20BCl2N3O3S

M.W.:
476.19

4 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4539964

Name:
2-(16-acetoxy-5,14-dimethyl-3-oxo-4,5,6,7,8,9,10,1
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Mol. Formula:
C28H34O7

M.W.:
482.57

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
99.88

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4539864

Name:
4-(4-(2-(3-Fluorophenoxy)acetyl)piperazin-1-yl)ben
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Mol. Formula:
C19H19FN2O4

M.W.:
358.37

Type:
Unknown

AlogP:
2.25

Polar Surface Area:
70.08

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4538750

Name:
3-(4-(2-(3-Chlorophenoxy)acetyl)piperazin-1-yl)ben
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Mol. Formula:
C19H19ClN2O4

M.W.:
374.82

5 activity values

Type:
Unknown

AlogP:
2.77

Polar Surface Area:
70.08

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4537293

Name:
4-(cyclooctanecarboxamido)phenyl benzenesulfonate

Mol. Formula:
C21H25NO4S

M.W.:
387.50

Type:
Unknown

AlogP:
4.75

Polar Surface Area:
72.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4520630

Name:
2-(4-(2-(2-(Trifluoromethyl)phenoxy)acetyl)piperaz
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Mol. Formula:
C20H19F3N2O4

M.W.:
408.38

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
70.08

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4520245

Name:
3-[(4-chlorophenyl)methyl]-2-methylpyrido[1,2-a]py
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Mol. Formula:
C16H13ClN2O

M.W.:
284.75

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
34.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4519920

Name:
3-(4-(2-(3,5-Dichlorophenoxy)acetyl)piperazin-1-yl
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Mol. Formula:
C19H18Cl2N2O4

M.W.:
409.27

4 activity values

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
70.08

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4533486

Name:
3-(4-fluorophenyl)-5-[(heptylamino)methylene]-6-hy
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Mol. Formula:
C18H22FN3O3

M.W.:
347.39

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
82.00

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4532793

Name:
2-(3,5-Dichlorophenoxy)-1-(4-(4-nitrophenyl)pipera
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Mol. Formula:
C18H17Cl2N3O4

M.W.:
410.26

5 activity values

Type:
Unknown

AlogP:
3.63

Polar Surface Area:
75.92

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4531671

Name:
2-(4-(2-(3,5-Dichlorophenoxy)acetyl)piperazin-1-yl
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Mol. Formula:
C19H18Cl2N2O4

M.W.:
409.27

5 activity values