Compounds

Type:
Unknown

AlogP:
5.50

Polar Surface Area:
93.14

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4519993

Name:
(R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-
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Mol. Formula:
C29H49NO3

M.W.:
459.72

Type:
Unknown

AlogP:
5.67

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4744582

Name:
4-cyclopropyl-3,4-dihydroquinoxalin-1(2H)-yl)(1-(2
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Mol. Formula:
C22H20Cl2N4O

M.W.:
427.33

10 activity values

7 unique targets

Type:
Unknown

AlogP:
4.87

Polar Surface Area:
41.37

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4743463

Name:
(R)-N-(4-fluorophenyl)-N-methyl-1-(1-phenylethyl)-
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Mol. Formula:
C19H18FN3O

M.W.:
323.37

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4760134

Name:
(R)-(1-(1-phenylethyl)-1H-imidazol-5-yl)(4-phenylp
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Mol. Formula:
C22H24N4O

M.W.:
360.46

Type:
Unknown

AlogP:
3.45

Polar Surface Area:
41.37

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4759282

Name:
(R)-(4-(4-methoxyphenyl)piperazin-1-yl)(1-l-phenyl
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Mol. Formula:
C23H26N4O2

M.W.:
390.49

Type:
Unknown

AlogP:
3.46

Polar Surface Area:
50.60

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4759025

Name:
4-cyclopropy1-3,4-dihydroquinoxalin-1(2H)-y1)(1-(2
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Mol. Formula:
C22H20Cl2N4O

M.W.:
427.34

12 activity values

8 unique targets

Type:
Unknown

AlogP:
4.87

Polar Surface Area:
41.37

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4759021

Name:
(R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3-hydroxy-
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Mol. Formula:
C30H53NO5

M.W.:
507.76

1 activity values

Type:
Unknown

AlogP:
4.83

Polar Surface Area:
77.02

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4758713

Name:
(R)-N-(4-chlorophenyl)-1-(1-phenylethyl)-1H-imidaz
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Mol. Formula:
C18H16ClN3O

M.W.:
325.80

Type:
Unknown

AlogP:
4.40

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4755808

Name:
(R)-N-(4-methoxyphenyl)-1-(1-phenylethyl)-1H-imida
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Mol. Formula:
C19H19N3O2

M.W.:
321.38

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4779837

Name:
(R)-(4-cyclopropy1-3,4-dihydro quinoxalin-1(2H)-yl
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Mol. Formula:
C23H24N4O

M.W.:
372.47

Type:
Unknown

AlogP:
4.12

Polar Surface Area:
41.37

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4779084

Name:
Methyl 5-((3-(4-cyclopropyl-1,2,3,4-tetrahydroquin
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Mol. Formula:
C27H23N3O5

M.W.:
469.50

3 unique targets

Type:
Unknown

AlogP:
5.04

Polar Surface Area:
85.11

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4778884

Name:
Chloromethyl 5-((3-(4-cyclopropyl-1,2,3,4-tetrahyd
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Mol. Formula:
C27H22ClN3O5

M.W.:
503.94

Type:
Unknown

AlogP:
5.60

Polar Surface Area:
85.11

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4776876

Name:
Propyl 5-((3-(4-cyclopropyl-1,2,3,4-tetrahydroquin
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Mol. Formula:
C29H27N3O5

M.W.:
497.55

3 unique targets

Type:
Unknown

AlogP:
5.82

Polar Surface Area:
85.11

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4776815

Name:
(R)-(4-(2-methoxyphenyOpiperazin-1-yl)(1-(1-phenyl
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Mol. Formula:
C23H26N4O2

M.W.:
390.49

Type:
Unknown

AlogP:
3.46

Polar Surface Area:
50.60

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4784355

Name:
2,2,2-Trifluoroethyl 5-((3-(4-cyclopropyl-1,2,3,4-
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Mol. Formula:
C28H22F3N3O5

M.W.:
537.49

Type:
Unknown

AlogP:
5.97

Polar Surface Area:
85.11

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4783601

Name:
(5-Methyl-2-oxo-1,3-dioxo1-4-yl)methyl 5-((3-(4-cy
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Mol. Formula:
C31H25N3O8

M.W.:
567.55

Type:
Unknown

AlogP:
5.46

Polar Surface Area:
128.46

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4783037

Name:
(Methylthio)methyl 5-((3-(4-cyclopropyl-1,2,3,4-te
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Mol. Formula:
C28H25N3O5S

M.W.:
515.59

Type:
Unknown

AlogP:
5.73

Polar Surface Area:
85.11

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4782069

Name:
Acetoxymethyl 5-((3-(4-cyclopropyl-1,2,3,4-tetrahy
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Mol. Formula:
C29H25N3O7

M.W.:
527.53

Type:
Unknown

AlogP:
4.93

Polar Surface Area:
111.41

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4754098

Name:
(R)-N-methyl-1-(1-phenylethyl)-N-(p-tolyl)-1H-imid
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Mol. Formula:
C20H21N3O

M.W.:
319.41