Compounds

ALA4757910

Name:
3,3'-((3S,6S,9S,15S,24R,27S,30S,33S,38aS)-9-((6S,9S,12S,15S,18S,21S,24S,27SShow More⌵

Mol. Formula:
C228H350N60O67S2

M.W.:
5067.79

7 activity values

5 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3126054

Name:
trans-4-(2-Oxo-pyrrolidin-1-yl)-cyclohexanecarboxylic acid [5-(3,5-difluoroShow More⌵

Mol. Formula:
C22H23F2N3O2

M.W.:
399.44

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
62.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3126052

Name:
cis-4-(3-Cyclopropyl-2-oxo-imidazolidin-1-yl)-cyclohexanecarboxylic acid [5Show More⌵

Mol. Formula:
C24H26F2N4O2

M.W.:
440.49

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
65.54

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3126051

Name:
cis-4-(3-Isopropyl-2-oxo-imidazolidin-1-yl)-cyclohexanecarboxylic acid [5-(Show More⌵

Mol. Formula:
C24H28F2N4O2

M.W.:
442.51

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
65.54

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3126041

Name:
cis-4-(2-Oxo-piperidin-1-yl)-cyclohexanecarboxylic acid [5-(3,5-difluoro-phShow More⌵

Mol. Formula:
C23H25F2N3O2

M.W.:
413.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
62.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3126038

Name:
cis-N-(5-(3,5-Difluorophenyl)pyridin-2-yl)-N-methyl-4-(2-oxopyrrolidin-1-ylShow More⌵

Mol. Formula:
C23H25F2N3O2

M.W.:
413.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
53.51

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3104112

Name:
(6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S,51S,54S,57S,60S,Show More⌵

Mol. Formula:
C182H293N43O59S

M.W.:
4059.65

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3099727

Name:
(6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S,51S,54S,57S,60S,Show More⌵

Mol. Formula:
C177H272N52O55

M.W.:
4008.43

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3099726

Name:
(6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S,51S,54S,57S,60S,Show More⌵

Mol. Formula:
C177H272N52O55

M.W.:
4008.43

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3099725

Name:
(6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S,51S,54S,57S,60S,Show More⌵

Mol. Formula:
C177H272N52O55

M.W.:
4008.43

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3099724

Name:
(3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S,51S)-18-((1H-Show More⌵

Mol. Formula:
C177H273N53O54

M.W.:
4007.45

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3099723

Name:
(6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S,51S,54S,57S,60S,Show More⌵

Mol. Formula:
C177H272N52O55

M.W.:
4008.43

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3099722

Name:
(6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S,51S,54S,57S,60S,Show More⌵

Mol. Formula:
C177H272N52O55

M.W.:
4008.43

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3099721

Name:
(6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S,51S,54S,57S,60S,Show More⌵

Mol. Formula:
C177H272N52O55

M.W.:
4008.43

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3084904

Name:
4-[(2-Fluoro-benzenesulfonylamino)-methyl]-cyclohexanecarboxylic acid (6-flShow More⌵

Mol. Formula:
C30H33F2N3O3S

M.W.:
553.68

Type:
Small molecule

AlogP:
4.90

Polar Surface Area:
88.16

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3084895

Name:
N-{4-[(6-Methoxy-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-ylamiShow More⌵

Mol. Formula:
C31H39N3O3S

M.W.:
533.74

Type:
Small molecule

AlogP:
5.11

Polar Surface Area:
80.32

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3084890

Name:
N-{4-[(1-Allyl-6-fluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-methyl]-cyShow More⌵

Mol. Formula:
C27H35FN2O2S

M.W.:
470.65

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3084889

Name:
N-{4-[(1-Allyl-6-hydroxy-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-methyl]-cShow More⌵

Mol. Formula:
C27H36N2O3S

M.W.:
468.66

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
78.43

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3084886

Name:
N-{4-[(6-Fluoro-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-ylaminShow More⌵

Mol. Formula:
C30H36FN3O2S

M.W.:
521.70

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
71.09

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3084885

Name:
2-Fluoro-N-{4-[(6-fluoro-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalenShow More⌵

Mol. Formula:
C30H35F2N3O2S

M.W.:
539.69

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
71.09

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS