Compounds

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
81.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA2287370

Name:
sec-butyl 3-(2,5-dimethylphenylcarbamoyl)-5,6-dime
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Mol. Formula:
C20H25N3O3

M.W.:
355.44

4 activity values

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
81.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA2287369

Name:
pentyl 3-(2,5-dimethylphenylcarbamoyl)-5,6-dimethy
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Mol. Formula:
C21H27N3O3

M.W.:
369.47

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
81.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2287368

Name:
butyl 3-(2,5-dimethylphenylcarbamoyl)-5,6-dimethyl
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Mol. Formula:
C20H25N3O3

M.W.:
355.44

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
81.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2287367

Name:
isobutyl 3-(2,5-dimethylphenylcarbamoyl)-5,6-dimet
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Mol. Formula:
C20H25N3O3

M.W.:
355.44

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
81.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2287366

Name:
isopropyl 3-(2,5-dichlorophenylcarbamoyl)-5,6-dime
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Mol. Formula:
C17H17Cl2N3O3

M.W.:
382.25

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
81.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2287365

Name:
propyl 3-(2,5-dichlorophenylcarbamoyl)-5,6-dimethy
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Mol. Formula:
C17H17Cl2N3O3

M.W.:
382.25

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
81.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2287364

Name:
ethyl 3-(2,5-dichlorophenylcarbamoyl)-5,6-dimethyl
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Mol. Formula:
C16H15Cl2N3O3

M.W.:
368.22

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
81.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2287363

Name:
methyl 3-(2,5-dichlorophenylcarbamoyl)-5,6-dimethy
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Mol. Formula:
C15H13Cl2N3O3

M.W.:
354.19

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
81.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2287362

Name:
N2-(2,5-dimethylphenyl)-5,6-dimethyl-N3,N3-dipenty
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Mol. Formula:
C26H38N4O2

M.W.:
438.62

Type:
Small molecule

AlogP:
5.79

Polar Surface Area:
75.19

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2287361

Name:
N2,N2-dibutyl-N3-(2,5-dimethylphenyl)-5,6-dimethyl
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Mol. Formula:
C24H34N4O2

M.W.:
410.56

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
75.19

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2287360

Name:
N2-(2,5-dimethylphenyl)-5,6-dimethyl-N3,N3-dipropy
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Mol. Formula:
C22H30N4O2

M.W.:
382.51

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
75.19

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2287359

Name:
N2-(2,5-dimethylphenyl)-N3,N3-diethyl-5,6-dimethyl
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Mol. Formula:
C20H26N4O2

M.W.:
354.45

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
75.19

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA2287358

Name:
N2-(2,5-dimethylphenyl)-N3,N3,5,6-tetramethylpyraz
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Mol. Formula:
C18H22N4O2

M.W.:
326.40

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
75.19

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA2287357

Name:
N2-(2,5-dimethylphenyl)-5,6-dimethylpyrazine-2,3-d
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Mol. Formula:
C16H18N4O2

M.W.:
298.35

Type:
Small molecule

AlogP:
2.06

Polar Surface Area:
97.97

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA2287356

Name:
pentan-2-yl 3-(2,5-dimethylphenylcarbamoyl)-5,6-di
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Mol. Formula:
C21H27N3O3

M.W.:
369.47

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
81.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2287355

Name:
isopentyl 3-(2,5-dimethylphenylcarbamoyl)-5,6-dime
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Mol. Formula:
C21H27N3O3

M.W.:
369.47