Compounds

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
104.81

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4166569

Name:
Sodium (2S)-2-{(2S)-2-[5-(3-chlorobenzyl)-2-oxooxazolidin-3-yl]-4-methylpenShow More⌵

Mol. Formula:
C23H31ClN3NaO8S

M.W.:
568.02

6 activity values

Type:
Small molecule

AlogP:
1.34

Polar Surface Area:
162.34

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4105106

Name:
sodium-(5S,8S)-1-(3-Chlorophenyl)-11-cyclohexyl-5-(cyclohexylmethyl)-3,6,11Show More⌵

Mol. Formula:
C31H43ClN3NaO9S

M.W.:
692.21

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
177.20

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4103451

Name:
3-Chlorophenethyl ((S)-3-cyclohexyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrroliShow More⌵

Mol. Formula:
C25H34ClN3O5

M.W.:
492.02

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
113.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4101004

Name:
Sodium (8S,11S)-8-(cyclohexylmethyl)-12-hydroxy-6,9-dioxo-11-(((S)-2-oxo-pyShow More⌵

Mol. Formula:
C26H38N3NaO9S

M.W.:
591.66

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
180.36

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4098228

Name:
sodium-(5S,8S)-5-Isobutyl-3,6,11-trioxo-8-(((S)-2-oxopyrrolidin-3-yl)-methyShow More⌵

Mol. Formula:
C23H32N3NaO9S

M.W.:
549.58

Type:
Small molecule

AlogP:
1.12

Polar Surface Area:
177.20

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4097398

Name:
sodium-(5S,8S)-5-(cyclohexylmethyl)-3,6,11-trioxo-8-(((S)-2-oxopyrrolidin-3Show More⌵

Mol. Formula:
C30H44N3NaO9S

M.W.:
645.75

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
177.20

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4097319

Name:
sodium-(5S,8S)-5-Isobutyl-3,6,11-trioxo-8-(((S)-2-oxopyrrolidin-3-yl)-methyShow More⌵

Mol. Formula:
C29H44N3NaO9S

M.W.:
633.74

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
177.20

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4095692

Name:
2-(benzyloxy)ethyl ((S)-3-cyclohexyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolShow More⌵

Mol. Formula:
C26H37N3O6

M.W.:
487.60

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
122.83

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4093269

Name:
Sodium (2S)-2-((S)-3-cyclohexyl-2-undecanamidopropanamido)-1-hydroxy-3-((S)Show More⌵

Mol. Formula:
C27H48N3NaO8S

M.W.:
597.75

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
171.13

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4091852

Name:
(4S,7S)-17-Benzyl-4-isobutyl-2,5,10-trioxo-1-oxa-3,6,11-triazacycloheptadecShow More⌵

Mol. Formula:
C25H37N3O5

M.W.:
459.59

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
113.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4090885

Name:
sodium-(5S,8S)-5-Isobutyl-3,6,11,14-tetraoxo-8-(((S)-2-oxopyrrolidin-3-yl)mShow More⌵

Mol. Formula:
C25H35N4NaO11S

M.W.:
622.63

Type:
Small molecule

AlogP:
0.45

Polar Surface Area:
215.53

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4089599

Name:
sodium-(5S,8S)-5-Isobutyl-3,6,11-trioxo-8-(((S)-2-oxopyrrolidin-3-yl)-methyShow More⌵

Mol. Formula:
C26H38N3NaO9S

M.W.:
591.66

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
177.20

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4088757

Name:
sodium-(5S,8S)-1-(3-Chlorophenyl)-5-(cyclohexylmethyl)-12-methyl-3,6,11-triShow More⌵

Mol. Formula:
C28H39ClN3NaO9S

M.W.:
652.14

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
177.20

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4088437

Name:
sodium-(5S,8S)-5-(Cyclohexylmethyl)-13-methyl-3,6,11,14-tetraoxo-8-(((S)-2-Show More⌵

Mol. Formula:
C29H41N4NaO11S

M.W.:
676.72

Type:
Small molecule

AlogP:
1.76

Polar Surface Area:
215.53

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4086271

Name:
sodium-(5S,8S)-5-Isobutyl-12-methyl-3,6,11-trioxo-8-(((S)-2-oxopyrrolidin-3Show More⌵

Mol. Formula:
C25H36N3NaO9S

M.W.:
577.63

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
177.20

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4085523

Name:
Sodium (2S)-2-((S)-3-cyclohexyl-2-(octylsulfonamido)propanamido)-1-hydroxy-Show More⌵

Mol. Formula:
C24H44N3NaO8S2

M.W.:
589.75

Type:
Small molecule

AlogP:
1.82

Polar Surface Area:
178.97

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4083097

Name:
sodium-(5S,8S)-5-Isobutyl-13-isopropyl-3,6,11,14-tetraoxo-8-(((S)-2-oxopyrrShow More⌵

Mol. Formula:
C28H41N4NaO11S

M.W.:
664.71

Type:
Small molecule

AlogP:
1.48

Polar Surface Area:
215.53

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4081729

Name:
sodium-(5S,8S)-5-Isobutyl-3,6,11-trioxo-8-(((S)-2-oxopyrrolidin-3-yl)-methyShow More⌵

Mol. Formula:
C24H34N3NaO9S

M.W.:
563.61