Compounds

ALA4248974

Name:
1-(4-(4-Methyl-3,4-dihydroquinoxalin-1(2H)-ylsulfo
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Cas Number:
1448427-02-8

Mol. Formula:
C19H21N3O3S

M.W.:
371.46

33 activity values

11 unique targets

Type:
Small molecule

AlogP:
2.46

Polar Surface Area:
60.93

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4246320

Name:
1-(4-(6-methyl-3,4-dihydroquinolin-1(2H)-ylsulfony
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Mol. Formula:
C20H22N2O3S

M.W.:
370.47

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
57.69

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4244338

Name:
1-methyl-4-(4-(pyrrolidin-1-yl)phenylsulfonyl)-1,2
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Mol. Formula:
C19H23N3O2S

M.W.:
357.48

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
43.86

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4243509

Name:
1-(4-(2-Methyl-3,4-dihydroquinolin-1(2H)-ylsulfony
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Mol. Formula:
C20H22N2O4S

M.W.:
386.47

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4243377

Name:
4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propylbenzenes
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Mol. Formula:
C19H22N2O3S

M.W.:
358.46

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
57.69

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4240977

Name:
1-(4-(6-(Trifluoromethyl)-3,4-dihydroquinolin-1(2H
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Mol. Formula:
C23H28N2O3S

M.W.:
412.56

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
57.69

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4240212

Name:
1-(4-(3,4-Dihydroquinolin-1(2H)-ylsulfonyl)phenyl)
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Mol. Formula:
C19H20N2O3S

M.W.:
356.45

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
57.69

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4240141

Name:
1-(4-(4,5-dihydro-1H-pyrazol-1-yl)phenylsulfonyl)-
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Mol. Formula:
C18H20N4O2S

M.W.:
356.45

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
56.22

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4238053

Name:
1-(4-(6-Methoxy-4-methyl-3,4-dihydroquinoxalin-1(2
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Mol. Formula:
C20H23N3O4S

M.W.:
401.49

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
70.16

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2436173

Name:
(R)-9-acetyl-6-(2-(1-methylpyrrolidin-2-yl)ethyl)-
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Mol. Formula:
C24H26N2O2

M.W.:
374.48

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
42.31

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2059435

Name:
2-((3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl
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Cas Number:
1352064-70-0

Mol. Formula:
C25H29Cl2NO4

M.W.:
478.42

48 activity values

13 unique targets

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
77.84

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2059300

Name:
2-((3R,5R,6S)-1-((S)-1-tert-butoxy-1-oxobutan-2-yl
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Mol. Formula:
C28H33Cl2NO5

M.W.:
534.48

27 activity values

10 unique targets

Type:
Small molecule

AlogP:
6.65

Polar Surface Area:
83.91

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA583413

Name:
6,7-bis(4-bromophenyl)-2,12-dimethyl-7,12-dihydro-
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Mol. Formula:
C26H20Br2N4O

M.W.:
564.28

9 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.70

Polar Surface Area:
43.18

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA191334

Name:
4-[(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-(2-isopropo
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Cas Number:
675576-98-4

Mol. Formula:
C30H30Cl2N4O4

M.W.:
581.50

958 activity values

599 unique targets

Type:
Small molecule

AlogP:
5.89

Polar Surface Area:
83.47

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS