Compounds

Type:
Unknown

AlogP:
5.35

Polar Surface Area:
12.53

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4474861

Name:
3,6-Anhydro-2-deoxy-7-O-methyl-7-C-phenyl-L-glycer
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Mol. Formula:
C14H16O5

M.W.:
264.28

19 activity values

9 unique targets

Type:
Unknown

AlogP:
0.82

Polar Surface Area:
64.99

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4538058

Name:
N-((3-(((2-([1,1'-biphenyl]-4-yl)ethyl)amino)methy
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Mol. Formula:
C31H30FN3

M.W.:
463.60

Type:
Unknown

AlogP:
6.93

Polar Surface Area:
28.99

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4537985

Name:
(S)-methyl 2-((2S,6S)-2-(3-chlorophenyl)-6-(4-chlo
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Mol. Formula:
C32H34Cl2N2O5S

M.W.:
629.61

2 activity values

2 unique targets

Type:
Unknown

AlogP:
6.81

Polar Surface Area:
92.78

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4537588

Name:
(2S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(o
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Mol. Formula:
C25H22Cl2N2O3S

M.W.:
501.44

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.59

Polar Surface Area:
80.47

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4525323

Name:
N1-(naphthalen-2-ylmethyl)-N2-(pyridin-2-ylmethyl)
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Mol. Formula:
C27H31N5

M.W.:
425.58

100 activity values

14 unique targets

Type:
Unknown

AlogP:
4.01

Polar Surface Area:
53.08

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4522630

Name:
3,6-Anhydro-2-deoxy-5-O-methyl-7-C-phenyl-D-glycer
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Mol. Formula:
C14H16O5

M.W.:
264.28

18 activity values

9 unique targets

Type:
Unknown

AlogP:
0.82

Polar Surface Area:
64.99

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4531438

Name:
N-((3-((([1,1'-biphenyl]-4-ylmethyl)(methyl)amino)
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Mol. Formula:
C31H30FN3

M.W.:
463.60

Type:
Unknown

AlogP:
7.23

Polar Surface Area:
20.20

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4531197

Name:
N-(4-fluorophenyl)-1-methyl-3-((methyl(3,4,5-trime
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Mol. Formula:
C28H30FN3O4

M.W.:
491.56

Type:
Unknown

AlogP:
5.23

Polar Surface Area:
64.96

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4559887

Name:
N,N-bis(2-(pyridin-2-ylmethylamino)ethyl)quinoline
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Mol. Formula:
C25H28N6O2S

M.W.:
476.61

Type:
Unknown

AlogP:
2.60

Polar Surface Area:
100.11

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4559025

Name:
1-Methoxylespeflorin G11

Mol. Formula:
C26H28O6

M.W.:
436.50

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.41

Polar Surface Area:
77.38

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4557474

Name:
(2S,5R)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-
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Mol. Formula:
C34H40ClN3O4S

M.W.:
622.23

11 activity values

11 unique targets

Type:
Unknown

AlogP:
5.97

Polar Surface Area:
109.57

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4555290

Name:
N-(4-fluorophenyl)-1-methyl-3-((4-methylpiperazin-
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Mol. Formula:
C22H25FN4O

M.W.:
380.47

Type:
Unknown

AlogP:
3.32

Polar Surface Area:
40.51

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4554343

Name:
N-(tert-Butyl)-3-(2-morpholinoethyl)-8-(4-morpholi
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Mol. Formula:
C27H36N8O2

M.W.:
504.64

13 activity values

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
84.98

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4570119

Name:
8(9)alpha-epoxy-4alpha-hydroxyfusicocc-2,3-en-14-o
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Mol. Formula:
C20H30O3

M.W.:
318.46

3 activity values

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
49.83

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4568073

Name:
(2S,5S)-N-((S)-1-amino-4-methyl-1-oxopentan-2-yl)-
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Mol. Formula:
C28H36ClN3O4S

M.W.:
546.13

10 activity values

10 unique targets

Type:
Unknown

AlogP:
4.75

Polar Surface Area:
109.57

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4567250

Name:
(2S,5S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-
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Mol. Formula:
C31H34ClN3O4S

M.W.:
580.15

64 activity values

17 unique targets

Type:
Unknown

AlogP:
4.95

Polar Surface Area:
109.57

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4530479

Name:
Fusicocc-2,(3),8,(9)-dien-14-one

Mol. Formula:
C20H30O

M.W.:
286.46

3 activity values