Compounds

Type:
---

AlogP:
5.70

Polar Surface Area:
180.13

HBA:
11

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5280097

Name:
3-(3,4,5-trimethoxyphenyl)propyl(S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidiShow More⌵

Mol. Formula:
C25H37NO7

M.W.:
463.57

Type:
---

AlogP:
3.57

Polar Surface Area:
91.37

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5279437

Name:
ethyl (S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

Mol. Formula:
C15H25NO4

M.W.:
283.37

Type:
---

AlogP:
1.94

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5275279

Name:

Mol. Formula:
C75H107N7O20

M.W.:
1426.71

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5274597

Name:
3-(3,4-dimethoxyphenyl)-1-(3-(4-(((2S,3R)-3-hydroxy-4-((N-isobutyl-4-methoxShow More⌵

Mol. Formula:
C55H72N4O12S

M.W.:
1013.26

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5291300

Name:
(S)-1-cyclohexyl-3-phenylpropyl(S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidinShow More⌵

Mol. Formula:
C28H41NO4

M.W.:
455.64

Type:
---

AlogP:
5.50

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5219513

Name:

Mol. Formula:
C52H81NO13

M.W.:
928.21

Type:
---

AlogP:
6.31

Polar Surface Area:
206.43

HBA:
13

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5219200

Name:

Mol. Formula:
C46H71NO10

M.W.:
798.07

Type:
---

AlogP:
6.73

Polar Surface Area:
159.90

HBA:
10

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5218786

Name:

Mol. Formula:
C47H73NO11

M.W.:
828.10

Type:
---

AlogP:
6.35

Polar Surface Area:
169.13

HBA:
11

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5218757

Name:

Mol. Formula:
C45H69NO10

M.W.:
784.04

Type:
---

AlogP:
6.07

Polar Surface Area:
170.90

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5218737

Name:

Mol. Formula:
C51H77NO12

M.W.:
896.17

6 activity values

6 unique targets

Type:
---

AlogP:
6.41

Polar Surface Area:
186.20

HBA:
12

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4799988

Name:
(R)-3-(3,4-dimethoxyphenyl)-1-phenylpropyl (S)-1-(2-(2-acrylamido-4-methoxyShow More⌵

Mol. Formula:
C34H38N2O7

M.W.:
586.69

4 activity values

Type:
Unknown

AlogP:
5.75

Polar Surface Area:
103.40

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4795903

Name:
2-(3-((R)-1-(((S)-1-(4-(acryloyloxy)-3,3-dimethyl-2-oxobutanoyl)piperidine-Show More⌵

Mol. Formula:
C33H42N2O9

M.W.:
610.70

5 activity values

3 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
140.70

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4792523

Name:
(R)-3-(3,4-dimethoxyphenyl)-1-phenylpropyl (S)-1-(4-(acryloyloxy)-3,3-dimetShow More⌵

Mol. Formula:
C31H39NO7

M.W.:
537.65

11 activity values

5 unique targets

Type:
Unknown

AlogP:
5.06

Polar Surface Area:
91.37

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4792288

Name:
(R)-1-(1-Carboxy-3-methylbutyl)-4-[3-(methoxy)phenylthiomethyl]-1H-1,2,3-trShow More⌵

Mol. Formula:
C16H21N3O3S

M.W.:
335.43

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
77.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4790319

Name:
1-Carboxymethyl-4-[4-(methoxy)phenylthiomethyl]-1H-1,2,3-triazole

Mol. Formula:
C12H13N3O3S

M.W.:
279.32

Type:
Unknown

AlogP:
1.66

Polar Surface Area:
77.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4790194

Name:
2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-(((S)-1-(3,3-dimethyl-2-oxopentanoyl)piShow More⌵

Mol. Formula:
C31H41NO8

M.W.:
555.67

9 activity values

5 unique targets

Type:
Unknown

AlogP:
5.20

Polar Surface Area:
111.60

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4787370

Name:
(S)-1-(1-Carboxy-3-methylpropyl)-4-[3-(methoxy)phenylthiomethyl]-1H-1,2,3-tShow More⌵

Mol. Formula:
C15H19N3O3S

M.W.:
321.40

Type:
Unknown

AlogP:
3.00

Polar Surface Area:
77.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4784570

Name:
(R)-1-(1-Carboxy-3-methylpropyl)-4-[3-(methoxy)phenylthiomethyl]-1H-1,2,3-tShow More⌵

Mol. Formula:
C15H19N3O3S

M.W.:
321.40

Type:
Unknown

AlogP:
3.00

Polar Surface Area:
77.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4782197

Name:
1-Carboxymethyl-4-(phenylthiomethyl)-1H-1,2,3-triazole

Mol. Formula:
C11H11N3O2S

M.W.:
249.29