Compounds

Type:
Unknown

AlogP:
4.78

Polar Surface Area:
95.94

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4584586

Name:
Methyl-(S)-3-(4-(benzyloxy)phenyl)-2-(2-(1-benzylpiperidin-4-yl)acetamido)pShow More⌵

Mol. Formula:
C31H36N2O4

M.W.:
500.64

Type:
Unknown

AlogP:
4.77

Polar Surface Area:
67.87

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4558314

Name:
Methyl-(S)-3-(4-(benzyloxy)phenyl)-2-(2-(1-(3-(2-methoxyphenyl)propanoyl)piShow More⌵

Mol. Formula:
C34H40N2O6

M.W.:
572.70

Type:
Unknown

AlogP:
4.74

Polar Surface Area:
94.17

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4556622

Name:
Methyl-(S)-3-(4-(benzyloxy)phenyl)-2-(2-(1-(3-(3,5-dichlorophenyl)propanoylShow More⌵

Mol. Formula:
C33H36Cl2N2O5

M.W.:
611.57

Type:
Unknown

AlogP:
6.03

Polar Surface Area:
84.94

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4547935

Name:
(S)-3-(4-(benzyloxy)phenyl)-N-(cyclopropylmethyl)-2-(2-(1-(3-phenylpropanoyShow More⌵

Mol. Formula:
C36H43N3O4

M.W.:
581.76

Type:
Unknown

AlogP:
5.08

Polar Surface Area:
87.74

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4546804

Name:
Methyl-(S)-3-(4-(benzyloxy)phenyl)-2-(2-(1-(3-(4-fluorophenyl)propanoyl)pipShow More⌵

Mol. Formula:
C33H37FN2O5

M.W.:
560.67

Type:
Unknown

AlogP:
4.87

Polar Surface Area:
84.94

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4541847

Name:
(S)-3-(4-(Benzyloxy)phenyl)-2-(2-(1-(3-(4-cyanophenyl)propanoyl)piperidin-4Show More⌵

Mol. Formula:
C33H35N3O5

M.W.:
553.66

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
119.73

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4541399

Name:
Methyl-(S)-3-(4-(benzyloxy)phenyl)-2-(2-(1-(2-(4-((teributoxycarbonyl)aminoShow More⌵

Mol. Formula:
C37H45N3O7

M.W.:
643.78

7 activity values

Type:
Unknown

AlogP:
5.68

Polar Surface Area:
123.27

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4535443

Name:
Methyl-(S)-3-(4-(benzyloxy)phenyl)-2-(2-(1-(3-(4-chlorophenyl)propanoyl)pipShow More⌵

Mol. Formula:
C33H37ClN2O5

M.W.:
577.12

Type:
Unknown

AlogP:
5.38

Polar Surface Area:
84.94

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4520244

Name:
Methyl-(S)-3-(4-(benzyloxy)phenyl)-2-(2-(1-(3-(4-(trifluoromethyl)phenyl)prShow More⌵

Mol. Formula:
C34H37F3N2O5

M.W.:
610.67

Type:
Unknown

AlogP:
5.75

Polar Surface Area:
84.94

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4519785

Name:
(S)-3-(4-(benzyloxy)phenyl)-2-(2-(1-(teri-butoxycarbonyl)piperidin-4-yl)aceShow More⌵

Mol. Formula:
C28H36N2O6

M.W.:
496.60

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
105.17

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4514183

Name:
(S)-3-(4-(Benzyloxy)phenyl)-2-(2-(1-(3-(3,4-dichlorophenyl)propanoyl)piperiShow More⌵

Mol. Formula:
C32H34Cl2N2O5

M.W.:
597.54

Type:
Unknown

AlogP:
5.95

Polar Surface Area:
95.94

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4476277

Name:
tert-butyl-(S)-4-(2-((3-(4-(benzyloxy)phenyl)-1-(isopropylamino)-1-oxopropaShow More⌵

Mol. Formula:
C31H43N3O5

M.W.:
537.70

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
96.97

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4475308

Name:
Methyl-(S)-3-(4-(benzyloxy)phenyl)-2-(2-(1-(3-(3-chlorophenyl)propanoyl)pipShow More⌵

Mol. Formula:
C33H37ClN2O5

M.W.:
577.12

Type:
Unknown

AlogP:
5.38

Polar Surface Area:
84.94

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4472543

Name:
(S)-3-(4-(Benzyloxy)phenyl)-N-cyclobutyl-2-(2-(1-(3-phenylpropanoyl)piperidShow More⌵

Mol. Formula:
C36H43N3O4

M.W.:
581.76

Type:
Unknown

AlogP:
5.22

Polar Surface Area:
87.74

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4470446

Name:
(S)-3-(4-(Benzyloxy)phenyl)-N-cyclohexyl-2-(2-(1-(3-phenylpropanoyl)piperidShow More⌵

Mol. Formula:
C38H47N3O4

M.W.:
609.81

2 activity values

Type:
Unknown

AlogP:
6.00

Polar Surface Area:
87.74

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4470391

Name:
tert-Butyl-(S)-4-(2-((3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl)amino)Show More⌵

Mol. Formula:
C22H32N2O6

M.W.:
420.51

2 activity values

Type:
Unknown

AlogP:
2.63

Polar Surface Area:
105.17

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4469116

Name:
(S)-3-(4-(Benzyloxy)phenyl)-N-cyclopropyl-2-(2-(1-(3-phenylpropanoyl)piperiShow More⌵

Mol. Formula:
C35H41N3O4

M.W.:
567.73

4 activity values

Type:
Unknown

AlogP:
4.83

Polar Surface Area:
87.74

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4467068

Name:
(S)-3-(4-(Benzyloxy)phenyl)-2-(2-(1-(3-(4-ethoxyphenyl)propanoyl)piperidin-Show More⌵

Mol. Formula:
C34H40N2O6

M.W.:
572.70

2 unique targets

Type:
Unknown

AlogP:
5.04

Polar Surface Area:
105.17

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4457900

Name:
Methyl(2-(1-(3-phenylpropanoyl)piperidin-4-yl)acetyl)-L-tyrosinate

Mol. Formula:
C26H32N2O5

M.W.:
452.55

2 activity values