Compounds

Type:
Small molecule

AlogP:
5.16

Polar Surface Area:
81.70

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3885051

Name:
(S)-tert-Butyl 2-(2-(6-(naphthalen-2-yl)-2-oxohexanamido)hexanamido)acetate

Mol. Formula:
C28H38N2O5

M.W.:
482.62

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
101.57

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3884981

Name:
(S)-tert-butyl 2-((S)-2-(6-(4-methoxyphenyl)-2-oxohexanamido)hexanamido)proShow More⌵

Mol. Formula:
C26H40N2O6

M.W.:
476.61

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
110.80

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3884751

Name:
tert-butyl 2-((2S,3S)-2-(6-(4-methoxyphenyl)-2-oxohexanamido)-3-methylpentaShow More⌵

Mol. Formula:
C25H38N2O6

M.W.:
462.59

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
110.80

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3884551

Name:
(R)-tert-butyl 2-((S)-2-(6-(4-methoxyphenyl)-2-oxohexanamido)hexanamido)proShow More⌵

Mol. Formula:
C26H40N2O6

M.W.:
476.61

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
110.80

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3884549

Name:
(S)-tert-Butyl 2-(2-(2-(6-(4-methoxyphenyl)-2-oxohexanamido)hexanamido)acetShow More⌵

Mol. Formula:
C27H41N3O7

M.W.:
519.64

Type:
Small molecule

AlogP:
2.23

Polar Surface Area:
139.90

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3884321

Name:
(S)-2-(2-(2-Oxo-6-phenylhexanamido)hexanamido)acetic acid

Mol. Formula:
C20H28N2O5

M.W.:
376.45

Type:
Small molecule

AlogP:
1.84

Polar Surface Area:
112.57

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3884299

Name:
(S)-tert-Butyl 2-((2-(2-oxo-6-phenylhexanamido)hexyl)oxy)acetate

Mol. Formula:
C24H37NO5

M.W.:
419.56

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
81.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3884235

Name:
(S)-tert-butyl 2-(2-(6-(4-methoxyphenyl)-2-oxohexanamido)-3-methylbutanamidShow More⌵

Mol. Formula:
C24H36N2O6

M.W.:
448.56

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
110.80

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3884194

Name:
(S)-N-(1-Amino-1-oxohexan-2-yl)-6-(4-methoxyphenyl)-2-oxohexanamide

Mol. Formula:
C19H28N2O4

M.W.:
348.44

Type:
Small molecule

AlogP:
2.14

Polar Surface Area:
98.49

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3884184

Name:
(S)-tert-butyl 2-(2-(6-(4-methoxyphenyl)-2-oxohexanamido)-4-methylpentanamiShow More⌵

Mol. Formula:
C25H38N2O6

M.W.:
462.59

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
110.80

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3884026

Name:
(S)-Benzyl 2-(2-(6-(4-methoxyphenyl)-2-oxohexanamido)hexanamido)acetate

Mol. Formula:
C28H36N2O6

M.W.:
496.60

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
110.80

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3883811

Name:
(S)-Ethyl 2-(2-(6-(naphthalen-2-yl)-2-oxohexanamido)hexanamido)acetate

Mol. Formula:
C26H34N2O5

M.W.:
454.57

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
101.57

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3883804

Name:
(S)-2-(2-(6-(Naphthalen-2-yl)-2-oxohexanamido)hexa-namido)acetic acid

Mol. Formula:
C24H30N2O5

M.W.:
426.51

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
112.57

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3883781

Name:
(S)-tert-Butyl 2-(2-(6-(4-methoxyphenyl)-2-oxohexanamido)hexanamido)acetate

Mol. Formula:
C25H38N2O6

M.W.:
462.59

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
110.80

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3883438

Name:
(S)-tert-Butyl 2-(2-(2-oxo-6-phenylhexanamido)hexanamido)acetate

Mol. Formula:
C24H36N2O5

M.W.:
432.56

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
101.57

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3883421

Name:
(S)-tert-Butyl 2-(6-(4-methoxyphenyl)-2-oxohexanamido)hexanoate

Mol. Formula:
C23H35NO5

M.W.:
405.54

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
81.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2420376

Name:
1,1,1-Trifluoro-6-(naphthalen-1-yl)hexan-2-one

Mol. Formula:
C16H15F3O

M.W.:
280.29

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2420375

Name:
7-(3,4-Dimethoxyphenyl)-1,1,1,2,2-pentafluoroheptan-3-one

Mol. Formula:
C15H17F5O3

M.W.:
340.29

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2420374

Name:
6-(3,4-Dimethoxyphenyl)-1,1,1-trifluorohexan-2-one

Mol. Formula:
C14H17F3O3

M.W.:
290.28