Compounds

ALA5271230

Name:
2,2-Dimethyl-3-(2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamido)-3-(p-tolyl)Show More⌵

Mol. Formula:
C24H29NO3

M.W.:
379.50

Type:
---

AlogP:
4.38

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5270092

Name:
(2R,3S)-3-((S)-2-Methoxy-2-phenylacetamido)-2-methyl-3-(p-tolyl)propanoic aShow More⌵

Mol. Formula:
C20H23NO4

M.W.:
341.41

Type:
---

AlogP:
3.26

Polar Surface Area:
75.63

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5281246

Name:
(2R,3S)-3-((S)-2-Hydroxy-2-phenylacetamido)-2-methyl-3-(p-tolyl)propanoic aShow More⌵

Mol. Formula:
C19H21NO4

M.W.:
327.38

Type:
---

AlogP:
2.61

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5280279

Name:
(R)-3-(2-(5,6,7,8-Tetrahydronaphthalen-2-yl)acetamido)-3-(p-tolyl)propanoicShow More⌵

Mol. Formula:
C22H25NO3

M.W.:
351.45

Type:
---

AlogP:
3.75

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5278346

Name:
(2R,3S)-3-((S)-2-Fluoro-2-phenylacetamido)-2-methyl-3-(p-tolyl)propanoic acShow More⌵

Mol. Formula:
C19H20FNO3

M.W.:
329.37

Type:
---

AlogP:
3.58

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5278259

Name:
4-((3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl)phenyl Show More⌵

Mol. Formula:
C23H17N3O6S

M.W.:
463.47

Type:
---

AlogP:
4.17

Polar Surface Area:
119.18

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5277909

Name:
(2R,3S)-3-((R)-2-Methoxy-2-phenylacetamido)-2-methyl-3-(p-tolyl)propanoic aShow More⌵

Mol. Formula:
C20H23NO4

M.W.:
341.41

Type:
---

AlogP:
3.26

Polar Surface Area:
75.63

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5275624

Name:
2-((3-((carboxymethyl)amino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-Show More⌵

Mol. Formula:
C14H22N2O8

M.W.:
346.34

Type:
---

AlogP:
-1.69

Polar Surface Area:
168.91

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5274849

Name:
1-((2-(5,6,7,8-Tetrahydronaphthalen-2-yl)acetamido)(p-tolyl)methyl)cycloproShow More⌵

Mol. Formula:
C24H27NO3

M.W.:
377.48

Type:
---

AlogP:
4.14

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5274045

Name:
(2R,3S)-2-Methyl-3-(2-oxo-2-phenylacetamido)-3-(p-tolyl)propanoic acid

Mol. Formula:
C19H19NO4

M.W.:
325.36

Type:
---

AlogP:
2.76

Polar Surface Area:
83.47

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5273621

Name:
5-(Azepan-1-yl)-2-((4-methoxyphenyl)sulfonamido)benzoic acid

Mol. Formula:
C20H24N2O5S

M.W.:
404.49

Type:
---

AlogP:
3.57

Polar Surface Area:
95.94

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5273569

Name:
Shinorine

Mol. Formula:
C13H20N2O8

M.W.:
332.31

Type:
---

AlogP:
-2.08

Polar Surface Area:
168.91

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5273301

Name:
5-((4-ethoxyphenyl)sulfonamido)-1-((4-ethoxyphenyl)sulfonyl)-N-hydroxy-1H-bShow More⌵

Mol. Formula:
C29H27N3O8S2

M.W.:
609.68

Type:
---

AlogP:
4.75

Polar Surface Area:
153.03

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5273258

Name:
(2R,3S)-3-((R)-2-Hydroxy-2-phenylacetamido)-2-methyl-3-(p-tolyl)propanoic aShow More⌵

Mol. Formula:
C19H21NO4

M.W.:
327.38

Type:
---

AlogP:
2.61

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5286485

Name:
(S)-3-(2-(5,6,7,8-Tetrahydronaphthalen-2-yl)acetamido)-3-(p-tolyl)propanoicShow More⌵

Mol. Formula:
C22H25NO3

M.W.:
351.45

Type:
---

AlogP:
3.75

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5286321

Name:
(2R,3S)-3-((R)-2-Fluoro-2-phenylacetamido)-2-methyl-3-(p-tolyl)propanoic acShow More⌵

Mol. Formula:
C19H20FNO3

M.W.:
329.37

Type:
---

AlogP:
3.58

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5285861

Name:
(R)-2-((S)-(2-(5,6,7,8-Tetrahydronaphthalen-2-yl)acetamido)(p-tolyl)methyl)Show More⌵

Mol. Formula:
C24H29NO3

M.W.:
379.50

Type:
---

AlogP:
4.38

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5285536

Name:
3-[(3S,6S,9S,15S,18S,21S,27S,30S,33S)-9-[3-[2-[2-[2-[[(5S)-6-amino-5-[3-[(2Show More⌵

Mol. Formula:
C116H174N34O31

M.W.:
2540.87

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5284493

Name:
(2R,3S)-3-((S)-2-Fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamido)-2-mShow More⌵

Mol. Formula:
C23H26FNO3

M.W.:
383.46

Type:
---

AlogP:
4.46

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5284304

Name:
(2R,3S)-2-Methyl-3-(2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamido)-3-(p-toShow More⌵

Mol. Formula:
C23H27NO3

M.W.:
365.47

Type:
---

AlogP:
3.99

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS