Compounds

Type:
Unknown

AlogP:
6.09

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4556306

Name:
N-(4-Cycloheptyl-4-oxobutyl)-4-methoxy-N-phenylben
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Mol. Formula:
C24H31NO4S

M.W.:
429.58

82 activity values

9 unique targets

Type:
Unknown

AlogP:
5.21

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4537665

Name:
N-(4-(4-Fluorophenyl)-4-oxobutyl)-4-methoxy-N-meth
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Mol. Formula:
C18H20FNO4S

M.W.:
365.43

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4533642

Name:
N-(4-Cyclopentyl-4-oxobutyl)-N-phenyl-4-(trifluoro
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Mol. Formula:
C22H24F3NO4S

M.W.:
455.50

Type:
Unknown

AlogP:
5.32

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4527096

Name:
N-(4-(4-Fluorophenyl)-4-oxobutyl)-4-methoxy-N-phen
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Mol. Formula:
C23H22FNO4S

M.W.:
427.50

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4476860

Name:
N-(4-Cyclohexyl-4-oxobutyl)-4-methoxy-N-phenylbenz
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Mol. Formula:
C23H29NO4S

M.W.:
415.56

Type:
Unknown

AlogP:
4.82

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4587036

Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-
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Mol. Formula:
C90H162N38O20

M.W.:
2096.53

63 activity values

6 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4586991

Name:
N-(4-Cycloheptyl-4-oxobutyl)-4-methyl-N-phenylbenz
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Mol. Formula:
C24H31NO3S

M.W.:
413.58

Type:
Unknown

AlogP:
5.51

Polar Surface Area:
54.45

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4586079

Name:
N-(4-Cycloheptyl-4-oxobutyl)-N-cyclohexyl-4-methox
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Mol. Formula:
C24H37NO4S

M.W.:
435.63

Type:
Unknown

AlogP:
5.34

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4585761

Name:
N-(4-(Adamantan-2-yl)-4-oxobutyl)-4-methoxy-N-phen
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Mol. Formula:
C27H33NO4S

M.W.:
467.63

Type:
Unknown

AlogP:
5.31

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4583831

Name:
N-(4-Cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenz
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Mol. Formula:
C21H25NO4S

M.W.:
387.50

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4581126

Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-
Show More⌵

Mol. Formula:
C102H169N39O22

M.W.:
2293.72

63 activity values

6 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4572769

Name:
N-(4-Cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl
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Mol. Formula:
C30H41NO4S

M.W.:
511.73

Type:
Unknown

AlogP:
7.26

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4569699

Name:
4-Methoxy-N-(4-oxopentyl)-N-phenylbenzenesulfonami
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Mol. Formula:
C18H21NO4S

M.W.:
347.44

Type:
Unknown

AlogP:
3.26

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4515601

Name:
N-(4-Cyclopentyl-4-oxobutyl)-4-methoxy-N-phenylben
Show More⌵

Mol. Formula:
C22H27NO4S

M.W.:
401.53

Type:
Unknown

AlogP:
4.43

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4465628

Name:
N-(4-(4-Fluorophenyl)-4-hydroxybutyl)-4-methoxy-N-
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Mol. Formula:
C23H24FNO4S

M.W.:
429.51

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
66.84

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4460318

Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-
Show More⌵

Mol. Formula:
C66H120N32O15

M.W.:
1601.90

18 activity values

6 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4453814

Name:
(2S)-2-acetamido-N-[(1S)-1-[[(1S)-1-formyl-3-methy
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Mol. Formula:
C20H37N3O4

M.W.:
383.53

14 activity values

5 unique targets

Type:
Unknown

AlogP:
1.80

Polar Surface Area:
104.37

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4447701

Name:
(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propa
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Mol. Formula:
C32H44N4O6

M.W.:
580.73

14 activity values

5 unique targets

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
153.70

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4445477

Name:
N-(4-(4-Fluorophenyl)-4-oxobutyl)-4-methoxybenzene
Show More⌵

Mol. Formula:
C17H18FNO4S

M.W.:
351.40