Compounds

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
86.50

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3809887

Name:
N-Benzyl-5-[3-(2,5-di(aziridin-1-yl)-3,6-dioxocycl
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Mol. Formula:
C26H22N4O4S

M.W.:
486.55

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
86.50

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3809027

Name:
2,5-Di(aziridin-1-yl)-3-[5-(5-(piperidine-1-carbon
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Mol. Formula:
C23H22N4O4S

M.W.:
450.52

21 activity values

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
86.50

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3810228

Name:
2,5-Di(aziridin-1-yl)-3-[5-(5-(pyrrolidine-1-carbo
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Mol. Formula:
C22H20N4O4S

M.W.:
436.49

Type:
Small molecule

AlogP:
2.02

Polar Surface Area:
86.50

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3809095

Name:
5-[3-(2,5-Di(aziridin-1-yl)-3,6-dioxocyclohexa-1,4
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Mol. Formula:
C22H22N4O4S

M.W.:
438.51

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
86.50

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3809785

Name:
5-[3-(2,5-Di(aziridin-1-yl)-3,6-dioxocyclohexa-1,4
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Mol. Formula:
C20H18N4O4S

M.W.:
410.46

20 activity values

Type:
Small molecule

AlogP:
1.48

Polar Surface Area:
86.50

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3746999

Name:
methyl 10-(2-((S)-1-(1H-indol-3-yl)-2-methoxy-2-ox
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Mol. Formula:
C32H50N2O5S

M.W.:
574.83

8 activity values

7 unique targets

Type:
Small molecule

AlogP:
7.64

Polar Surface Area:
97.49

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3746346

Name:
methyl 10-(2-((S)-2-methoxy-2-oxo-1-phenylethylami
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Mol. Formula:
C30H49NO5S

M.W.:
535.79

12 activity values

10 unique targets

Type:
Small molecule

AlogP:
7.16

Polar Surface Area:
81.70

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3746616

Name:
methyl 10-(2-((S)-1-methoxy-4-methyl-1-oxopentan-2
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Mol. Formula:
C28H53NO5S

M.W.:
515.80

10 activity values

Type:
Small molecule

AlogP:
6.84

Polar Surface Area:
81.70

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4228799

Name:
ethyl 1-ethyl-4-(4-(4-fluorophenyl)piperazin-1-yl)
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Mol. Formula:
C24H26FN3O3

M.W.:
423.49

7 unique targets

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
54.78

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4227334

Name:
ethyl 1-ethyl-4-(4-(2-fluorophenyl)piperazin-1-yl)
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Mol. Formula:
C24H26FN3O3

M.W.:
423.49

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
54.78

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3099274

Name:
(3R,9S,10R,E)-3,9-Dihydroxy-10-propyl-3,4,5,8,9,10
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Mol. Formula:
C12H20O4

M.W.:
228.29

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
1.16

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2337839

Name:
(R)-2,3,4-Trifluoro-N-((3-(3-fluoro-4-morpholinoph
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Mol. Formula:
C20H19F4N3O5S

M.W.:
489.45

Type:
Small molecule

AlogP:
2.38

Polar Surface Area:
88.18

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2337838

Name:
(R)-3,5-Dichloro-N-((3-(3-fluoro-4-morpholinopheny
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Mol. Formula:
C20H20Cl2FN3O5S

M.W.:
504.37

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
88.18

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2337835

Name:
(R)-N-((3-(3-Fluoro-4-morpholinophenyl)-2-oxooxazo
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Mol. Formula:
C21H21F4N3O5S

M.W.:
503.47

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
88.18

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2337833

Name:
(R)-N-((3-(3-Fluoro-4-morpholinophenyl)-2-oxooxazo
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Mol. Formula:
C23H23FN4O5S

M.W.:
486.53

Type:
Small molecule

AlogP:
2.51

Polar Surface Area:
101.07

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2337832

Name:
(R)-N-(5-(N-((3-(3-Fluoro-4-morpholinophenyl)-2-ox
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Mol. Formula:
C21H25FN4O6S2

M.W.:
512.59

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
117.28

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2337831

Name:
(R)-N-((3-(3-Fluoro-4-morpholinophenyl)-2-oxooxazo
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Mol. Formula:
C26H26FN3O6S

M.W.:
527.57

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
97.41

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2337830

Name:
(R)-3-Chloro-4-fluoro-N-((3-(3-fluoro-4-morpholino
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Mol. Formula:
C20H20ClF2N3O5S

M.W.:
487.91

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
88.18

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2337829

Name:
(R)-4-Acetyl-N-((3-(3-fluoro-4-morpholinophenyl)-2
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Mol. Formula:
C22H24FN3O6S

M.W.:
477.51