Compounds

Type:
Small molecule

AlogP:
1.59

Polar Surface Area:
180.08

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA1790471

Name:
2-(2-{4-[2-(2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-3-methyl-pentShow More⌵

Mol. Formula:
C33H57F2N5O9

M.W.:
705.84

Type:
Small molecule

AlogP:
2.62

Polar Surface Area:
198.10

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA175583

Name:
(S)-N-Benzyl-2-{(S)-2-[2-(3,5-difluoro-phenyl)-acetylamino]-propionylamino}Show More⌵

Mol. Formula:
C27H27F2N3O3

M.W.:
479.53

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
87.30

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA179646

Name:
(S)-2-{(S)-2-[2-(4-Bromo-phenyl)-acetylamino]-propionylamino}-3-phenyl-propShow More⌵

Mol. Formula:
C24H29BrN2O4

M.W.:
489.41

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
84.50

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA175549

Name:
(S)-2-{(S)-2-[2-(4-Hydroxy-phenyl)-acetylamino]-propionylamino}-3-phenyl-prShow More⌵

Mol. Formula:
C24H30N2O5

M.W.:
426.51

Type:
Small molecule

AlogP:
2.51

Polar Surface Area:
104.73

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA413355

Name:
(S)-2-{(S)-2-[2-(3-Hydroxy-phenyl)-acetylamino]-propionylamino}-3-phenyl-prShow More⌵

Mol. Formula:
C24H30N2O5

M.W.:
426.51

Type:
Small molecule

AlogP:
2.51

Polar Surface Area:
104.73

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA175702

Name:
(S)-2-{(S)-2-[2-(2-Hydroxy-phenyl)-acetylamino]-propionylamino}-3-phenyl-prShow More⌵

Mol. Formula:
C24H30N2O5

M.W.:
426.51

Type:
Small molecule

AlogP:
2.51

Polar Surface Area:
104.73

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA425326

Name:
(S)-2-{(S)-2-[2-(3-Bromo-phenyl)-acetylamino]-propionylamino}-3-phenyl-propShow More⌵

Mol. Formula:
C24H29BrN2O4

M.W.:
489.41

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
84.50

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA176681

Name:
(S)-2-{(S)-2-[2-(2-Bromo-phenyl)-acetylamino]-propionylamino}-3-phenyl-propShow More⌵

Mol. Formula:
C24H29BrN2O4

M.W.:
489.41

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
84.50

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA175295

Name:
(S)-N-Butyl-2-{(S)-2-[2-(3,5-difluoro-phenyl)-acetylamino]-propionylamino}-Show More⌵

Mol. Formula:
C24H29F2N3O3

M.W.:
445.51

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
87.30

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA177969

Name:
(S)-2-{(S)-2-[2-(3,5-Difluoro-phenyl)-acetylamino]-propionylamino}-3-phenylShow More⌵

Mol. Formula:
C24H28F2N2O4

M.W.:
446.49

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
84.50

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA178538

Name:
(S)-N-Benzhydryl-2-{(S)-2-[2-(3,5-difluoro-phenyl)-acetylamino]-propionylamShow More⌵

Mol. Formula:
C33H31F2N3O3

M.W.:
555.63

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
87.30

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA337242

Name:
{(R)-1-Benzyl-4-[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-3-methyl-bShow More⌵

Mol. Formula:
C39H52N4O5

M.W.:
656.87

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
139.62

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA334632

Name:
{(1S,2R)-1-Benzyl-4-[(R)-1-((S)-(S)-1-(S)-carbamoyl-2-methyl-butylcarbamoylShow More⌵

Mol. Formula:
C35H52N4O6

M.W.:
624.82

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
159.85

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA133845

Name:
{(1S,2R,4S,5R)-2,5-Bis-(tert-butyl-dimethyl-silanyloxy)-4-[(S)-1-((S)-1-carShow More⌵

Mol. Formula:
C36H74N4O7Si2

M.W.:
731.18

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA340192

Name:
{(E)-(R)-1-Benzyl-4-[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-3-methShow More⌵

Mol. Formula:
C39H50N4O5

M.W.:
654.85

Type:
Small molecule

AlogP:
5.43

Polar Surface Area:
139.62

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA340614

Name:
{(1S,2R,4R)-2,5-Bis-(tert-butyl-dimethyl-silanyloxy)-4-[(S)-1-((S)-1-carbamShow More⌵

Mol. Formula:
C36H74N4O7Si2

M.W.:
731.18

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA422434

Name:
{(1S,2R,4S,5S)-2,5-Bis-(tert-butyl-dimethyl-silanyloxy)-4-[(S)-1-((S)-1-carShow More⌵

Mol. Formula:
C36H74N4O7Si2

M.W.:
731.18