Compounds

Type:
Small molecule

AlogP:
8.37

Polar Surface Area:
111.52

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA1094349

Name:
4-(3-(6-(5-(benzo[d][1,3]dioxol-5-yl)-2'-fluorobip
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Mol. Formula:
C38H39FO8

M.W.:
642.72

15 activity values

12 unique targets

Type:
Small molecule

AlogP:
8.33

Polar Surface Area:
111.52

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA1099338

Name:
4-(3-(6-(5-(benzo[d][1,3]dioxol-5-yl)-4'-methoxybi
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Mol. Formula:
C39H42O9

M.W.:
654.76

Type:
Small molecule

AlogP:
8.20

Polar Surface Area:
120.75

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA1099337

Name:
4-[3-[6-(5-Benzo[1,3]dioxol-5-yl-biphenyl-3-yloxy)
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Mol. Formula:
C38H40O8

M.W.:
624.73

Type:
Small molecule

AlogP:
8.19

Polar Surface Area:
111.52

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA1099336

Name:
4-(2-(2-Carboxy-ethyl)-3-{6-[3'-fluoro-5-(1H-indol
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Mol. Formula:
C39H40FNO6

M.W.:
637.75

Type:
Small molecule

AlogP:
9.08

Polar Surface Area:
108.85

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA1099335

Name:
4-{2-(2-Carboxy-ethyl)-3-[6-(3'-fluoro-5-pyridin-4
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Mol. Formula:
C36H38FNO6

M.W.:
599.70

Type:
Small molecule

AlogP:
8.00

Polar Surface Area:
105.95

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA1099334

Name:
4-{2-(2-Carboxy-ethyl)-3-[6-(3-pyrimidin-5-yl-5-th
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Mol. Formula:
C33H36N2O6S

M.W.:
588.73

Type:
Small molecule

AlogP:
7.31

Polar Surface Area:
118.84

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA1099333

Name:
4-(2-(2-Carboxy-ethyl)-3-{6-[3-(2-chloro-pyridin-4
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Mol. Formula:
C34H36ClNO6S

M.W.:
622.18

Type:
Small molecule

AlogP:
8.57

Polar Surface Area:
105.95

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA1099332

Name:
4-{2-(2-Carboxy-ethyl)-3-[6-(3-pyridin-4-yl-5-thio
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Mol. Formula:
C34H37NO6S

M.W.:
587.74

Type:
Small molecule

AlogP:
7.92

Polar Surface Area:
105.95

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA1099329

Name:
4-[3-{6-[3,5-Bis-(2,3-dihydro-benzo[1,4]dioxin-6-y
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Mol. Formula:
C41H44O10

M.W.:
696.79

Type:
Small molecule

AlogP:
8.01

Polar Surface Area:
129.98

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA1099328

Name:
4-[3-[6-(3,5-Bis-benzo[1,3]dioxol-5-yl-phenoxy)-he
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Mol. Formula:
C39H40O10

M.W.:
668.74

Type:
Small molecule

AlogP:
7.92

Polar Surface Area:
129.98

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA1099327

Name:
4-{2-(2-Carboxyethyl)-3-[6-(3,5-dipyrimidin-5-ylph
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Mol. Formula:
C35H38N2O6

M.W.:
582.70

Type:
Small molecule

AlogP:
7.25

Polar Surface Area:
118.84

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA1099326

Name:
4-{2-(2-Carboxy-ethyl)-3-[6-(3,5-di-pyridin-4-yl-p
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Mol. Formula:
C35H38N2O6

M.W.:
582.70

23 activity values

12 unique targets

Type:
Small molecule

AlogP:
7.25

Polar Surface Area:
118.84

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA1098550

Name:
4-{2-(2-Carboxy-ethyl)-3-[6-(3,5-di-thiophen-3-yl-
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Mol. Formula:
C33H36O6S2

M.W.:
592.78

Type:
Small molecule

AlogP:
8.59

Polar Surface Area:
93.06

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA1099325

Name:
4-{2-(2-Carboxy-ethyl)-3-[6-(4,4''-dimethoxy-[1.1'
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Mol. Formula:
C39H44O8

M.W.:
640.77

Type:
Small molecule

AlogP:
8.48

Polar Surface Area:
111.52

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA1099324

Name:
4-{2-(2-Carboxy-ethyl)-3-[6-(4,4''-difluoro-[1.1':
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Mol. Formula:
C37H38F2O6

M.W.:
616.70

Type:
Small molecule

AlogP:
8.74

Polar Surface Area:
93.06

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA1099323

Name:
4-{2-(2-Carboxyethyl)-3-[6-([1,1',3,1'']terphenyl-
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Mol. Formula:
C37H40O6

M.W.:
580.72

17 activity values

13 unique targets

Type:
Small molecule

AlogP:
8.46

Polar Surface Area:
93.06

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA1788228

Name:
(R)-Lithium; 3-{2-[7-(1-hydroxy-nonyl)-quinolin-2-
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Mol. Formula:
C27H32LiNO3

M.W.:
425.50

Type:
Small molecule

AlogP:
6.50

Polar Surface Area:
70.42

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1256923

Name:
6-[6-(3-Hydroxy-undeca-1,5-dienyl)-pyridin-2-yl]-h
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Mol. Formula:
C22H35NO3

M.W.:
361.53

27 activity values

19 unique targets

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
73.58

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA538494

Name:
1-[4-(4-Dimethylamino-butoxy)-5-ethyl-2-hydroxy-ph
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Mol. Formula:
C16H26ClNO3

M.W.:
315.84