Compounds

Type:
Unknown

AlogP:
1.98

Polar Surface Area:
110.25

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4528419

Name:
rac-N-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl)-7-Show More⌵

Mol. Formula:
C22H18F2N4O5

M.W.:
456.41

Type:
Unknown

AlogP:
1.99

Polar Surface Area:
119.48

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4476803

Name:
rac-N-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl)-7-Show More⌵

Mol. Formula:
C22H19F2N5O4

M.W.:
455.42

Type:
Unknown

AlogP:
1.72

Polar Surface Area:
122.13

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4463361

Name:
rac-N-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl)-7-Show More⌵

Mol. Formula:
C21H16F2N4O5

M.W.:
442.38

Type:
Unknown

AlogP:
1.69

Polar Surface Area:
130.48

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4462376

Name:
rac-7-chloro-N-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)pShow More⌵

Mol. Formula:
C21H16ClF2N5O3

M.W.:
459.84

Type:
Unknown

AlogP:
2.37

Polar Surface Area:
112.90

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4454268

Name:
rac-N-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl)-2-Show More⌵

Mol. Formula:
C21H17F2N5O3

M.W.:
425.40

Type:
Unknown

AlogP:
1.72

Polar Surface Area:
112.90

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2407378

Name:
threo-(5S,11S)-methyl 11-benzyl-8-(hydroxy(phenyl)methyl)-5-isobutyl-3,6,9-Show More⌵

Mol. Formula:
C33H39N3O7

M.W.:
589.69

Type:
Protein

AlogP:
3.45

Polar Surface Area:
143.06

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA2407377

Name:
threo-(5S,11S)-methyl 8-(hydroxy(phenyl)methyl)-5,11-diisobutyl-3,6,9-trioxShow More⌵

Mol. Formula:
C30H41N3O7

M.W.:
555.67

Type:
Protein

AlogP:
3.25

Polar Surface Area:
143.06

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2407376

Name:
erythro-(S)-Methyl-2-((2S,3S)-3-(4-formylphenoxy)-2-((S)-4-isobutyl-3-methyShow More⌵

Mol. Formula:
C34H39N3O6

M.W.:
585.70

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
105.25

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA2407375

Name:
erythro-(S)-methyl 2-((2R,3R)-3-(4-formylphenoxy)-2-((S)-4-isobutyl-3-methyShow More⌵

Mol. Formula:
C31H41N3O6

M.W.:
551.68

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
105.25

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2407374

Name:
erythro-(S)-methyl 2-((2S,3S)-3-(4-formylphenoxy)-2-((S)-4-isobutyl-3-methyShow More⌵

Mol. Formula:
C31H41N3O6

M.W.:
551.68

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
105.25

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2407372

Name:
erythro-(2S,3S)-Methyl-2-((2S,3S)-2-((S)-2-(dimethylamino)-4-methylpentanamShow More⌵

Mol. Formula:
C31H43N3O6

M.W.:
553.70

17 activity values

Type:
Protein

AlogP:
3.78

Polar Surface Area:
114.04

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2407370

Name:
erythro-(S)-Methyl-2-((2S,3S)-2-((S)-2-(dimethylamino)-4-methylpentanamido)Show More⌵

Mol. Formula:
C34H41N3O6

M.W.:
587.72

17 activity values

Type:
Protein

AlogP:
3.98

Polar Surface Area:
114.04

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2407369

Name:
erythro-(S)-Methyl-2-((2R,3R)-2-((S)-2-(dimethylamino)-4-methylpentanamido)Show More⌵

Mol. Formula:
C31H43N3O6

M.W.:
553.70

Type:
Protein

AlogP:
3.78

Polar Surface Area:
114.04

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2407368

Name:
erythro-(S)-Methyl-2-((2S,3S)-2-((S)-2-(dimethylamino)-4-methylpentanamido)Show More⌵

Mol. Formula:
C31H43N3O6

M.W.:
553.70

Type:
Protein

AlogP:
3.78

Polar Surface Area:
114.04

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2407367

Name:
threo-(2S,3S)-methyl 2-(3-hydroxy-2-((S)-4-isobutyl-3-methyl-5-oxoimidazoliShow More⌵

Mol. Formula:
C24H37N3O5

M.W.:
447.58

Type:
Small molecule

AlogP:
1.94

Polar Surface Area:
99.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2407366

Name:
threo-(S)-Methyl-2-((2R,3S)-3-hydroxy-2-((S)-4-isobutyl-3-methyl-5-oxoimidaShow More⌵

Mol. Formula:
C27H35N3O5

M.W.:
481.59

Type:
Small molecule

AlogP:
2.14

Polar Surface Area:
99.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2407365

Name:
threo-(S)-Methyl-2-((2S,3R)-3-hydroxy-2-((S)-4-isobutyl-3-methyl-5-oxoimidaShow More⌵

Mol. Formula:
C27H35N3O5

M.W.:
481.59

Type:
Small molecule

AlogP:
2.14

Polar Surface Area:
99.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2407364

Name:
threo-(2S)-methyl 2-(3-hydroxy-2-((S)-4-isobutyl-3-methyl-5-oxoimidazolidinShow More⌵

Mol. Formula:
C24H37N3O5

M.W.:
447.58

Type:
Small molecule

AlogP:
1.94

Polar Surface Area:
99.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2407363

Name:
threo-(2S,3S)-methyl 2-(2-((S)-2-(dimethylamino)-4-methylpentanamido)-3-hydShow More⌵

Mol. Formula:
C24H39N3O5

M.W.:
449.59