Compounds

Type:
Unknown

AlogP:
5.26

Polar Surface Area:
72.19

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4093723

Name:
(S)-4-butyl-3-phenethyl-1-(4-((S)-2-propyl-4,5-dih
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Mol. Formula:
C25H40N4S

M.W.:
428.69

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
30.87

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4091239

Name:
(S)-4-benzyl-1-(4-((S)-2-(4-fluorobenzyl)-4,5-dihy
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Mol. Formula:
C32H37FN4S

M.W.:
528.74

Type:
Small molecule

AlogP:
5.67

Polar Surface Area:
30.87

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4085975

Name:
(S)-3-(2-Adamantan-2-yl-ethyl)-4-benzyl-1-[4-((S)-
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Mol. Formula:
C32H48N4S

M.W.:
520.83

Type:
Small molecule

AlogP:
6.30

Polar Surface Area:
30.87

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4073023

Name:
(S)-1-(4-((S)-2-allyl-4,5-dihydro-1H-imidazol-4-yl
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Mol. Formula:
C28H36N4S

M.W.:
460.69

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
30.87

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4064439

Name:
(4S)-4-benzyl-3-(2-(bicyclo[2.2.1]heptan-2-yl)ethy
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Mol. Formula:
C29H44N4S

M.W.:
480.77

Type:
Small molecule

AlogP:
5.67

Polar Surface Area:
30.87

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5086647

Name:
N-(3-chloro-4-(((cyclohexylmethyl)(propyl)amino)me
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Mol. Formula:
C26H35ClN2O3S

M.W.:
491.10

4 activity values

Type:
Unknown

AlogP:
5.72

Polar Surface Area:
66.48

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4454027

Name:
4-[3-(2,6-dichlorobenzoyl)indol-1-yl]benzoic acid

Mol. Formula:
C22H13Cl2NO3

M.W.:
410.26

22 activity values

9 unique targets

Type:
Unknown

AlogP:
5.87

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4293415

Name:
2-(4-(2-(4-(ethylsulfonyl)phenyl)acetamido)phenyl)
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Mol. Formula:
C27H30N2O4S

M.W.:
478.61

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
83.55

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4292660

Name:
2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-methyl-1-oxo-1
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Mol. Formula:
C26H32N2O4S

M.W.:
468.62

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
83.55

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4290041

Name:
2-(4-(2-(4-(ethylsulfonyl)phenyl)acetamido)-2-fluo
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Mol. Formula:
C26H26F2N2O4S

M.W.:
500.57

24 activity values

9 unique targets

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
92.34

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4287674

Name:
N-(2,4-difluorophenyl)-2-(4-(2-(4-(ethylsulfonyl)p
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Cas Number:
2068119-11-7

Mol. Formula:
C26H25F3N2O4S

M.W.:
518.56

33 activity values

10 unique targets

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
92.34

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4287342

Name:
2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-methyl-1-oxo-1
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Mol. Formula:
C25H32N2O4S

M.W.:
456.61

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
83.55

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4286190

Name:
2-(4-(2-(4-(ethylsulfonyl)phenyl)acetamido)phenyl)
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Mol. Formula:
C26H27FN2O4S

M.W.:
482.58

8 activity values

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
92.34

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4282801

Name:
2-(4-(ethylsulfonyl)phenyl)-N-(4-(1-(indolin-1-yl)
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Mol. Formula:
C28H30N2O4S

M.W.:
490.63

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
83.55

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4282063

Name:
N-(4-(1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl)
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Mol. Formula:
C23H28N2O4S

M.W.:
428.55

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
83.55

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4281750

Name:
2-(4-(2-(4-(ethylsulfonyl)phenyl)acetamido)phenyl)
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Mol. Formula:
C26H27FN2O4S

M.W.:
482.58

8 activity values

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
92.34

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4279772

Name:
N-(4-cyanopyridin-2-yl)-2-(4-(2-(4-(ethylsulfonyl)
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Mol. Formula:
C26H25FN4O4S

M.W.:
508.58

33 activity values

10 unique targets

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
129.02

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4279420

Name:
2-(4-(2-(4-(ethylsulfonyl)phenyl)acetamido)phenyl)
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Mol. Formula:
C26H28N2O4S

M.W.:
464.59

11 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.58

Polar Surface Area:
92.34

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4278285

Name:
2-(4-(ethylsulfonyl)phenyl)-N-(4-(1-(isoindolin-2-
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Mol. Formula:
C28H30N2O4S

M.W.:
490.63