Compounds

ALA2252510

Name:
Trans-2-(4-{2-[(ethoxycarbonyl)amino]ethoxy}benzyl)cyclohexyl(3a,5b,7a,12a)Show More⌵

Mol. Formula:
C44H65NO10

M.W.:
768.00

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.20

Polar Surface Area:
146.69

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA2252509

Name:
Cis-2-(4-{2-[(ethoxycarbonyl)amino]ethoxy}benzyl)cyclohexyl(3a,5b,7a,12a)-7Show More⌵

Mol. Formula:
C44H65NO10

M.W.:
768.00

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.20

Polar Surface Area:
146.69

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA2252508

Name:
Trans-2-(4-{2-[(ethoxycarbonyl)amino]ethoxy}benzyl)cyclohexyl(3alpha,5beta,Show More⌵

Mol. Formula:
C45H65NO11

M.W.:
796.01

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.38

Polar Surface Area:
152.76

HBA:
11

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA2252507

Name:
Cis-2-(4-{2-[(ethoxycarbonyl)amino]ethoxy}benzyl)cyclohexyl(3alpha,5beta,7aShow More⌵

Mol. Formula:
C45H65NO11

M.W.:
796.01

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.38

Polar Surface Area:
152.76

HBA:
11

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA2252506

Name:
Trans-2-(4-{2-[(ethoxycarbonyl)amino]ethoxy}benzyl)cyclohexyl(3beta,22E)-stShow More⌵

Mol. Formula:
C51H77NO7

M.W.:
816.18

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
11.60

Polar Surface Area:
100.16

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA2252505

Name:
Cis-2-(4-{2-[(ethoxycarbonyl)amino]ethoxy}benzyl)cyclohexyl(3beta,22E)-stigShow More⌵

Mol. Formula:
C51H77NO7

M.W.:
816.18

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
11.60

Polar Surface Area:
100.16

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA400623

Name:
ethyl 4-{4'-[2''-(beta-D-galactopyranosyloxy)cyclohexyl-methyl]phenoxy}-3-mShow More⌵

Mol. Formula:
C26H38O9

M.W.:
494.58

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
134.91

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA241734

Name:
ethyl 4-{4'-[2''-(beta-D-glucopyranosyloxy)cyclohexyl]methylphenoxy}-3-methShow More⌵

Mol. Formula:
C26H38O9

M.W.:
494.58

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
134.91

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA245411

Name:
4-[4'-(2''-hydroxycyclohexyl)methylphenoxy]-3-methyl-but-2-enoic acid ethylShow More⌵

Mol. Formula:
C20H28O4

M.W.:
332.44

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA245410

Name:
4-{4'-[2''-(beta-D-galactopyranosyloxy)cyclohexyl-methyl]phenoxy}-3-methyl-Show More⌵

Mol. Formula:
C26H38O9

M.W.:
494.58

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
134.91

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA248475

Name:
ethyl 4-{4'-[2''-(beta-D-glucopyranosyloxy)cyclohexyl]methylphenoxy}-3-methShow More⌵

Mol. Formula:
C26H38O9

M.W.:
494.58

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
134.91

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA391542

Name:
4-[4'-(2''-hydroxycyclohexyl)methylphenoxy]-3-methyl-but-2-enoic acid ethylShow More⌵

Mol. Formula:
C20H28O4

M.W.:
332.44

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA248474

Name:
ethyl 4-{4'-[2''-(beta-D-galactopyranosyloxy)cyclohexyl-methyl]phenoxy}-3-mShow More⌵

Mol. Formula:
C26H38O9

M.W.:
494.58

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
134.91

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA392351

Name:
ethyl 4-{4'-[2''-(beta-D-glucopyranosyloxy)cyclohexyl]methylphenoxy}-3-methShow More⌵

Mol. Formula:
C26H38O9

M.W.:
494.58

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
134.91

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA248473

Name:
(1S,2S)-4-[4'-(2''-hydroxycyclohexyl)methylphenoxy]-3-methyl-but-2-enoic acShow More⌵

Mol. Formula:
C20H28O4

M.W.:
332.44

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA248274

Name:
(1S,2S)-ethyl 4-{4'-[2''-(beta-D-galactopyranosyloxy)cyclohexyl-methyl]phenShow More⌵

Mol. Formula:
C26H38O9

M.W.:
494.58

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
134.91

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA248273

Name:
(1S,2S)-ethyl 4-{4'-[2''-(beta-D-glucopyranosyloxy)cyclohexyl]methylphenoxyShow More⌵

Mol. Formula:
C26H38O9

M.W.:
494.58

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
134.91

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA391541

Name:
(1S,2S)-4-[4'-(2''-hydroxycyclohexyl)methylphenoxy]-3-methyl-but-2-enoic acShow More⌵

Mol. Formula:
C20H28O4

M.W.:
332.44

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS