Compounds

ALA3350681

Name:
(S)-2-{[(2S,4R)-1-((E)-(R)-4-Amino-5-mercapto-pent-2-enyl)-4-phenoxy-pyrrolShow More⌵

Mol. Formula:
C26H35F6N3O8S2

M.W.:
695.70

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.73

Polar Surface Area:
93.89

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3350225

Name:
(S)-2-{[(2R,4S)-1-((E)-(R)-4-Amino-5-mercapto-pent-2-enyl)-4-phenoxy-pyrrolShow More⌵

Mol. Formula:
C26H35F6N3O8S2

M.W.:
695.70

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.73

Polar Surface Area:
93.89

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3349356

Name:
(S)-2-{[(2S,4S)-1-((E)-(R)-4-Amino-5-mercapto-pent-2-enyl)-4-(5,6,7,8-tetraShow More⌵

Mol. Formula:
C30H41F6N3O8S2

M.W.:
749.79

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
93.89

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3349355

Name:
(S)-2-{[(2S,4S)-1-((E)-(R)-4-Amino-5-mercapto-pent-2-enyl)-4-(naphthalen-1-Show More⌵

Mol. Formula:
C30H37F6N3O8S2

M.W.:
745.76

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
93.89

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3349311

Name:
methyl 2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(2-propylphenoxy)-(2S,Show More⌵

Mol. Formula:
C29H41F6N3O8S2

M.W.:
737.78

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
93.89

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2092732

Name:
(S)-2-{[(2S,4S)-1-((E)-(R)-4-Amino-5-mercapto-pent-2-enyl)-4-phenoxy-pyrrolShow More⌵

Mol. Formula:
C26H35F6N3O8S2

M.W.:
695.70

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.73

Polar Surface Area:
93.89

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA184805

Name:
4-[[4-(3-Chloro-phenyl)-6-oxo-1,6-dihydro-pyridin-3-ylmethoxy]-(3-methyl-3HShow More⌵

Mol. Formula:
C24H19ClN4O2

M.W.:
430.89

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
83.96

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA319271

Name:
[(R)-1-[(S)-1-(2-Benzyloxy-ethylcarbamoyl)-2-(4-benzyloxy-phenyl)-ethylcarbShow More⌵

Mol. Formula:
C39H41N5O6

M.W.:
675.79

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
143.67

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA406781

Name:
[(R)-1-[(S)-1-{(S)-2-Benzyloxy-1-[(S)-1-((R)-1-carbamoyl-ethylcarbamoyl)-2-Show More⌵

Mol. Formula:
C54H57N9O9

M.W.:
976.10

2 activity values

2 unique targets

Type:
Protein

AlogP:
4.45

Polar Surface Area:
260.75

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA103411

Name:
[(R)-1-{[(S)-1-(2-Benzyloxy-ethylcarbamoyl)-2-(4-benzyloxy-phenyl)-ethyl]-mShow More⌵

Mol. Formula:
C40H43N5O6

M.W.:
689.81

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.23

Polar Surface Area:
134.88

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA433102

Name:
methyl 2-[1-[5-amino-6-sulfanyl-(E,5R)-3-hexenyl]-4-phenoxy-(2S,4S)-tetrahyShow More⌵

Mol. Formula:
C27H37F6N3O8S2

M.W.:
709.73

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
93.89

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA302834

Name:
methyl 2-[1-[5-amino-6-sulfanyl-(5R)-hexyl]-4-phenoxy-(2S,4S)-tetrahydro-1HShow More⌵

Mol. Formula:
C27H39F6N3O8S2

M.W.:
711.74

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
93.89

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA303363

Name:
methyl 2-[1-[5-amino-6-sulfanyl-(5R)-hexanoyl]-4-phenoxy-(2S,4S)-tetrahydroShow More⌵

Mol. Formula:
C27H37F6N3O9S2

M.W.:
725.73

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.87

Polar Surface Area:
110.96

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA66788

Name:
methyl 2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(4-phenylphenoxy)-(2S,Show More⌵

Mol. Formula:
C32H39F6N3O8S2

M.W.:
771.80

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
93.89

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA304823

Name:
methyl 2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(4-butylphenoxy)-(2S,4Show More⌵

Mol. Formula:
C30H43F6N3O8S2

M.W.:
751.81

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
93.89

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA302025

Name:
methyl 2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(4-isopropylphenoxy)-(Show More⌵

Mol. Formula:
C29H41F6N3O8S2

M.W.:
737.78

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
93.89

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA303859

Name:
methyl 2-[1-[5-amino-2-isopropyl-6-sulfanyl-(2S,3E,5R)-3-hexenyl]-4-phenoxyShow More⌵

Mol. Formula:
C30H43F6N3O8S2

M.W.:
751.81

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
93.89

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA305772

Name:
(S)-2-{[(2S,4S)-1-((E)-(2S,5R)-5-Amino-2-isopropyl-6-mercapto-hex-3-enoyl)-Show More⌵

Mol. Formula:
C30H41F6N3O9S2

M.W.:
765.79

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
110.96

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA294277

Name:
methyl 2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(4-trifluoromethylphenShow More⌵

Mol. Formula:
C27H34F9N3O8S2

M.W.:
763.70

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
93.89

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA304680

Name:
methyl 2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(3,4-dimethoxyphenoxy)Show More⌵

Mol. Formula:
C28H39F6N3O10S2

M.W.:
755.75

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
112.35

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.19

DETAILS