Compounds

ALA2287038

Name:
(S)-N-(3-methoxy-4-(pent-2-ynyloxy)phenethyl)-4-methyl-2-(methylsulfonamidoShow More⌵

Mol. Formula:
C21H32N2O5S

M.W.:
424.56

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.11

Polar Surface Area:
93.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2287037

Name:
(2S,3S)-N-(3-methoxy-4-(pent-2-ynyloxy)phenethyl)-3-methyl-2-(methylsulfonaShow More⌵

Mol. Formula:
C21H32N2O5S

M.W.:
424.56

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.11

Polar Surface Area:
93.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2287036

Name:
(S)-N-(3-methoxy-4-(pent-2-ynyloxy)phenethyl)-3-methyl-2-(methylsulfonamidoShow More⌵

Mol. Formula:
C20H30N2O5S

M.W.:
410.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.72

Polar Surface Area:
93.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2287035

Name:
(S)-N-(3-methoxy-4-(pent-2-ynyloxy)phenethyl)-2-(methylsulfonamido)pentanamShow More⌵

Mol. Formula:
C20H30N2O5S

M.W.:
410.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
93.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2287034

Name:
(R/S)-N-(3-methoxy-4-(pent-2-ynyloxy)phenethyl)-2-(methylsulfonamido)pent-4Show More⌵

Mol. Formula:
C20H28N2O5S

M.W.:
408.52

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.64

Polar Surface Area:
93.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2287033

Name:
(S)-N-(3-methoxy-4-(pent-2-ynyloxy)phenethyl)-2-(methylsulfonamido)propanamShow More⌵

Mol. Formula:
C18H26N2O5S

M.W.:
382.48

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.08

Polar Surface Area:
93.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2287032

Name:
N-(3-methoxy-4-(pent-2-ynyloxy)phenethyl)-2-(methylsulfonamido)acetamide

Mol. Formula:
C17H24N2O5S

M.W.:
368.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.70

Polar Surface Area:
93.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2287023

Name:
(R/S)-2-(4-chlorophenyl)-N-(3-methoxy-4-(pent-2-ynyloxy)phenethyl)-2-(methyShow More⌵

Mol. Formula:
C23H27ClN2O5S

M.W.:
479.00

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.09

Polar Surface Area:
93.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2287022

Name:
(S)-N-(3-methoxy-4-(pent-2-ynyloxy)phenethyl)-2-(methylsulfonamido)-4-(methShow More⌵

Mol. Formula:
C20H30N2O5S2

M.W.:
442.60

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.82

Polar Surface Area:
93.73

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2287021

Name:
(S)-5-(3-methoxy-4-(pent-2-ynyloxy)phenethylamino)-4-(methylsulfonamido)-5-Show More⌵

Mol. Formula:
C20H28N2O7S

M.W.:
440.52

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.93

Polar Surface Area:
131.03

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2287020

Name:
(2S,3R)-3-hydroxy-N-(3-methoxy-4-(pent-2-ynyloxy)phenethyl)-2-(methylsulfonShow More⌵

Mol. Formula:
C19H28N2O6S

M.W.:
412.51

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.44

Polar Surface Area:
113.96

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2287019

Name:
(R/S)-3-ethyl-N-(3-methoxy-4-(pent-2-ynyloxy)phenethyl)-2-(methylsulfonamidShow More⌵

Mol. Formula:
C22H34N2O5S

M.W.:
438.59

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
93.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA256509

Name:
acremine A

Mol. Formula:
C12H18O4

M.W.:
226.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.32

Polar Surface Area:
77.76

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA254580

Name:
acremine B

Mol. Formula:
C12H16O4

M.W.:
224.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.53

Polar Surface Area:
74.60

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA274744

Name:
rac-acremine G

Mol. Formula:
C24H26O5

M.W.:
394.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.68

Polar Surface Area:
83.83

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS