Compounds

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
173.42

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4536089

Name:
(E)-3-(2-Methoxyphenyl)-1-(2-(3-morpholinopropoxy)
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Mol. Formula:
C23H28ClNO4

M.W.:
417.93

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4524361

Name:
(E)-3-(2-Chlorophenyl)-1-(4-(3-morpholinopropoxy)p
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Mol. Formula:
C22H24ClNO3

M.W.:
385.89

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4522957

Name:
(E)-1-(4-(3-Morpholinopropoxy)phenyl)-3-(pyridin-2
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Mol. Formula:
C21H25ClN2O3

M.W.:
388.90

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
51.66

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4521044

Name:
(E)-3-(2-Methoxyphenyl)-1-(4-(3-morpholinopropoxy)
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Mol. Formula:
C23H28ClNO4

M.W.:
417.93

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4532883

Name:
(E)-3-(2-Methoxyphenyl)-1-(4-(2-morpholino-2-oxoet
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Mol. Formula:
C22H23NO5

M.W.:
381.43

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
65.07

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4557962

Name:
(E)-1-(4-(2-(4-Methylpiperazin-1-yl)-2-oxoethoxy)p
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Mol. Formula:
C22H25ClN2O3

M.W.:
400.91

Type:
Unknown

AlogP:
2.74

Polar Surface Area:
49.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4557915

Name:
(E)-3-(4-Methoxyphenyl)-1-(4-(3-morpholinopropoxy)
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Mol. Formula:
C23H28ClNO4

M.W.:
417.93

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4569049

Name:
(E)-3-(2-Methoxyphenyl)-1-(3-(3-morpholinopropoxy)
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Mol. Formula:
C23H28ClNO4

M.W.:
417.93

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4526218

Name:
(E)-1-(4-(3-(Pyrrolidin-1-yl)propoxy)phenyl)-3-(2-
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Mol. Formula:
C23H25ClF3NO2

M.W.:
439.91

Type:
Unknown

AlogP:
5.47

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4515723

Name:
N,N'-(((((1H-1,2,3-triazol-4-yl)methyl)(4-(((1H-1,
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Mol. Formula:
C32H30N10O6S2

M.W.:
714.79

8 activity values

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
216.10

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4546347

Name:
Dimethyl 2,2'-(naphthalene-1,4-diylbis(((4-acetami
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Mol. Formula:
C32H32N4O10S2

M.W.:
696.76

8 activity values

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
185.56

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4743973

Name:
(R)-2-((S)-1-Acetylpyrrolidine-2-carboxamido)-3-((
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Mol. Formula:
C23H32N4O6S

M.W.:
492.60

Type:
Unknown

AlogP:
0.28

Polar Surface Area:
125.12

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4743402

Name:
2-((4-(N-(carboxymethyl)-2,4,6-trimethylphenylsulf
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Mol. Formula:
C30H26F3NO7S

M.W.:
601.60

Type:
Unknown

AlogP:
6.27

Polar Surface Area:
121.21

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4741548

Name:
2-(4-acetamidophenyl)-2-(4-(N-(carboxymethyl)-2,4,
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Mol. Formula:
C31H30N2O8S

M.W.:
590.65

Type:
Unknown

AlogP:
5.21

Polar Surface Area:
150.31

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4764629

Name:
Methyl-(4R,7S)-7-((S)-1-acetylpyrrolidine-2-carbox
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Mol. Formula:
C22H27N3O7S

M.W.:
477.54

Type:
Unknown

AlogP:
0.24

Polar Surface Area:
131.11

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4764502

Name:
2-((4-(N-(carboxymethyl)-2,4,6-trimethylphenylsulf
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Mol. Formula:
C31H31NO8S

M.W.:
577.66

Type:
Unknown

AlogP:
5.65

Polar Surface Area:
130.44

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4764486

Name:
(4S,7R)-7-((S)-1-Acetylpyrrolidine-2-carboxamido)-
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Mol. Formula:
C25H34N4O6S

M.W.:
518.64

Type:
Unknown

AlogP:
0.94

Polar Surface Area:
125.12

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4763899

Name:
2-((4-(4-carbamoyl-N-(carboxymethyl)phenylsulfonam
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Mol. Formula:
C27H22N2O8S

M.W.:
534.55

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
164.30

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4763510

Name:
2-((4-(N-(carboxymethyl)-4-chlorophenylsulfonamido
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Mol. Formula:
C26H20ClNO7S

M.W.:
525.97