Compounds

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4789156

Name:
NA

Mol. Formula:
C147H232N42O52

M.W.:
3419.71

13 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4786083

Name:
NA

Mol. Formula:
C68H108N12O27

M.W.:
1525.67

6 activity values

3 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3126196

Name:
rac-4-(3-(4-(Cyclopentyl(amino)(phenyl)methyl)-piperidin-1-yl)propoxy)benzoShow More⌵

Mol. Formula:
C27H35N3O

M.W.:
417.60

26 activity values

8 unique targets

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
62.28

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3126187

Name:
(R)-4-(3-(4-(cyclopentyl(hydroxy)(phenyl)methyl)piperidin-1-yl)propoxy)benzShow More⌵

Mol. Formula:
C27H34N2O2

M.W.:
418.58

19 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.12

Polar Surface Area:
56.49

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2397332

Name:
Osteoprotegerin

Mol. Formula:
C18H32O2

M.W.:
280.45

Type:
Small molecule

AlogP:
5.56

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2397331

Name:
11-(1-Ethyl-1H-1,2,3-triazol-4-yl)undecanoic acid

Mol. Formula:
C15H27N3O2

M.W.:
281.40

3 activity values

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
68.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2397330

Name:
8-(1-Pentyl-1H-1,2,3-triazol-4-yl)octanoic acid

Mol. Formula:
C15H27N3O2

M.W.:
281.40

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
68.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2397329

Name:
6-(1-Heptyl-1H-1,2,3-triazol-4-yl)hexanoic acid

Mol. Formula:
C15H27N3O2

M.W.:
281.40

3 activity values

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
68.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2397328

Name:
4-(1-Nonyl-1H-1,2,3-triazol-4-yl)butanoic acid

Mol. Formula:
C15H27N3O2

M.W.:
281.40

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
68.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2397327

Name:
3-(1-Decyl-1H-1,2,3-triazol-4-yl)propanoic acid

Mol. Formula:
C15H27N3O2

M.W.:
281.40

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
68.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2397326

Name:
(1-Undecyl-1H-1,2,3-triazol-4-yl)acetic acid

Mol. Formula:
C15H27N3O2

M.W.:
281.40

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
68.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2397325

Name:
8-[2-(2-Methoxyethoxy)ethoxy]octanoic acid

Mol. Formula:
C13H26O5

M.W.:
262.35

Type:
Small molecule

AlogP:
2.09

Polar Surface Area:
64.99

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2397324

Name:
12-Propoxydodecanoic acid

Mol. Formula:
C15H30O3

M.W.:
258.40

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2397323

Name:
10-(Pentyloxy)decanoic acid

Mol. Formula:
C15H30O3

M.W.:
258.40

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2397322

Name:
9-(Hexyloxy)nonanoic acid

Mol. Formula:
C15H30O3

M.W.:
258.40

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2397321

Name:
6-(Nonyloxy)hexanoic acid

Mol. Formula:
C15H30O3

M.W.:
258.40

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2397320

Name:
5-(Decyloxy)pentanoic acid

Mol. Formula:
C15H30O3

M.W.:
258.40

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2397319

Name:
3-(Dodecyloxy)propanoic acid

Mol. Formula:
C15H30O3

M.W.:
258.40