Compounds

ALA5271600

Name:
3,6,6-Trimethyl-4-oxo-N-(1-oxo-4-phenyl-1-(phenylamino)-butan-2-yl)-4,5,6,7Show More⌵

Mol. Formula:
C28H31N3O3

M.W.:
457.57

Type:
---

AlogP:
4.85

Polar Surface Area:
91.06

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5271226

Name:
(S)-N-(1-(1H-benzo[d]imidazol-2-yl)-3-(dimethylamino)propyl)-3,6,6-trimethyShow More⌵

Mol. Formula:
C24H31N5O2

M.W.:
421.55

Type:
---

AlogP:
3.78

Polar Surface Area:
93.88

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5270726

Name:
rac-N-(1-((3-cyanophenyl)amino)-1-oxohexan-2-yl)-3,6,6-trimethyl-4-oxo-4,5,Show More⌵

Mol. Formula:
C25H30N4O3

M.W.:
434.54

Type:
---

AlogP:
4.28

Polar Surface Area:
114.85

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5270293

Name:
rac-N-(1-((4-carbamoylphenyl)amino)-1-oxohexan-2-yl)-3,6,6-trimethyl-4-oxo-Show More⌵

Mol. Formula:
C25H32N4O4

M.W.:
452.56

Type:
---

AlogP:
3.50

Polar Surface Area:
134.15

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5269650

Name:
rac-N-(1-((4-fluorophenyl)amino)-1-oxohexan-2-yl)-3,6,6-trimethyl-4-oxo-4,5Show More⌵

Mol. Formula:
C24H30FN3O3

M.W.:
427.52

Type:
---

AlogP:
4.54

Polar Surface Area:
91.06

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5269406

Name:
(S)-3-methyl-4-oxo-N-(1-oxo-1-(phenylamino)hexan-2-yl)-1,2',3',4,5,5',6',7-Show More⌵

Mol. Formula:
C26H33N3O4

M.W.:
451.57

Type:
---

AlogP:
4.18

Polar Surface Area:
100.29

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5269390

Name:
rac-3,6,6-trimethyl-4-oxo-N-(1-oxo-1-(pyridin-4-ylamino)hexan-2-yl)-4,5,6,7Show More⌵

Mol. Formula:
C23H30N4O3

M.W.:
410.52

Type:
---

AlogP:
3.80

Polar Surface Area:
103.95

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5268866

Name:
rac-N-(1-(butylamino)-1-oxohexan-2-yl)-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahShow More⌵

Mol. Formula:
C22H35N3O3

M.W.:
389.54

Type:
---

AlogP:
3.68

Polar Surface Area:
91.06

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5268813

Name:
rac-N-(1-((4-cyanophenyl)amino)-4-cyclopropyl-1-oxobutan-2-yl)-3,6,6-trimetShow More⌵

Mol. Formula:
C26H30N4O3

M.W.:
446.55

Type:
---

AlogP:
4.28

Polar Surface Area:
114.85

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5268701

Name:
rac-N-(1-((2-chlorophenyl)amino)-1-oxohexan-2-yl)-3,6,6-trimethyl-4-oxo-4,5Show More⌵

Mol. Formula:
C24H30ClN3O3

M.W.:
443.98

Type:
---

AlogP:
5.06

Polar Surface Area:
91.06

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5268539

Name:
rac-4-(2-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxamido)Show More⌵

Mol. Formula:
C25H31N3O5

M.W.:
453.54

Type:
---

AlogP:
4.10

Polar Surface Area:
128.36

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5268136

Name:
(R)-3,6,6-trimethyl-4-oxo-N-(1-oxo-1-(phenylamino)hexan-2-yl)-4,5,6,7-tetraShow More⌵

Mol. Formula:
C24H31N3O3

M.W.:
409.53

Type:
---

AlogP:
4.41

Polar Surface Area:
91.06

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5282496

Name:
(S)-3,6,6-trimethyl-4-oxo-N-(1-oxo-1-(phenylamino)hexan-2-yl)-4,5,6,7-tetraShow More⌵

Mol. Formula:
C24H31N3O3

M.W.:
409.53

Type:
---

AlogP:
4.41

Polar Surface Area:
91.06

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5282001

Name:
rac-N-(1-(1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-3,6,6-trimethyl-4Show More⌵

Mol. Formula:
C23H28N4O2S

M.W.:
424.57

Type:
---

AlogP:
4.58

Polar Surface Area:
90.64

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5281928

Name:
6-chloro-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine

Mol. Formula:
C18H17ClN2O

M.W.:
312.80

Type:
---

AlogP:
5.34

Polar Surface Area:
34.15

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5281569

Name:
rac-N-(1-((4-methoxyphenyl)amino)-1-oxohexan-2-yl)-3,6,6-trimethyl-4-oxo-4,Show More⌵

Mol. Formula:
C25H33N3O4

M.W.:
439.56

Type:
---

AlogP:
4.41

Polar Surface Area:
100.29

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5279999

Name:
rac-1,3,6,6-tetramethyl-4-oxo-N-(1-oxo-1-(phenylamino)hexan-2-yl)-4,5,6,7-tShow More⌵

Mol. Formula:
C25H33N3O3

M.W.:
423.56

Type:
---

AlogP:
4.42

Polar Surface Area:
80.20

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5279738

Name:
(S)-3-isopropyl-6,6-dimethyl-4-oxo-N-(1-oxo-1-(phenylamino)hexan-2-yl)-4,5,Show More⌵

Mol. Formula:
C26H35N3O3

M.W.:
437.58

Type:
---

AlogP:
5.22

Polar Surface Area:
91.06

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5279582

Name:
N-(3-Cyclopropyl-1-oxo-1-(phenylamino)propan-2-yl)-3,6,6-trimethyl-4-oxo-4,Show More⌵

Mol. Formula:
C24H29N3O3

M.W.:
407.51

Type:
---

AlogP:
4.02

Polar Surface Area:
91.06

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5279376

Name:
(R)-N-(4-cyclopropyl-1-oxo-1-(phenylamino)butan-2-yl)-3,6,6-trimethyl-4-oxoShow More⌵

Mol. Formula:
C25H31N3O3

M.W.:
421.54

Type:
---

AlogP:
4.41

Polar Surface Area:
91.06

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS