Compounds

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
53.11

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.48

DETAILS

ALA1774321

Name:
3-Azaoctacyclo[8.7.0.0(1,5).0(5,13).0(6,11).0(7,9).0(12,17).0(14,16)]heptadShow More⌵

Mol. Formula:
C16H20ClN

M.W.:
261.80

9 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.60

Polar Surface Area:
12.03

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.66

DETAILS

ALA1774320

Name:
3-Azahexacyclo[7.6.0.0(1,5).0(5,12).0(6,10).0(11,15)]pentadecane HydrochlorShow More⌵

Mol. Formula:
C14H20ClN

M.W.:
237.77

6 activity values

Type:
Small molecule

AlogP:
1.89

Polar Surface Area:
12.03

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.63

DETAILS

ALA1774319

Name:
3-Azahexacyclo[7.6.0.0(1,5).0(5,12).0(6,10).0(11,15)]pentadeca-7,13-diene HShow More⌵

Mol. Formula:
C14H16ClN

M.W.:
233.74

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.44

Polar Surface Area:
12.03

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.58

DETAILS

ALA1774318

Name:
N-Methyl[(pentacyclo[6.4.0.0(2,10).0(3,7).0(4,9)]dodec-8-yl)methyl]-amine HShow More⌵

Mol. Formula:
C14H22ClN

M.W.:
239.79

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
12.03

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA1774317

Name:
[(Pentacyclo[6.4.0.0(2,10).0(3,7).0(4,9)]dodec-8-yl)methyl]amine HydrochlorShow More⌵

Mol. Formula:
C13H20ClN

M.W.:
225.76

Type:
Small molecule

AlogP:
1.87

Polar Surface Area:
26.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.67

DETAILS

ALA1774316

Name:
N-(Pentacyclo[6.4.0.0(2,10).0(3,7).0(4,9)]dodec-8-yl)acetamidine HydrochlorShow More⌵

Mol. Formula:
C14H21ClN2

M.W.:
252.79

Type:
Small molecule

AlogP:
2.25

Polar Surface Area:
35.88

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.51

DETAILS

ALA1774315

Name:
N,N-Diethyl(pentacyclo[6.4.0.0(2,10).0(3,7).0(4,9)]dodec-8-yl)amine HydrochShow More⌵

Mol. Formula:
C16H26ClN

M.W.:
267.84

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA1774314

Name:
(Pentacyclo[6.4.0.0(2,10).0(3,7).0(4,9)]dodec-8-yl)amine Hydrochloride

Mol. Formula:
C12H18ClN

M.W.:
211.74

Type:
Small molecule

AlogP:
1.63

Polar Surface Area:
26.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.59

DETAILS

ALA1774313

Name:
rac-1-(Hexahydro-2,5-methano-pentalen-3a-yl)-ethylamine

Mol. Formula:
C11H19N

M.W.:
165.28

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.16

Polar Surface Area:
26.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.63

DETAILS

ALA1774312

Name:
Spiro[5.5]undecan-3-amine

Mol. Formula:
C11H21N

M.W.:
167.30

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
26.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.59

DETAILS

ALA1171000

Name:
5'-ethylspiro[adamantane-2,2'-pyrrolidine]

Mol. Formula:
C15H25N

M.W.:
219.37

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
12.03

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA1172240

Name:
3',4'-dihydrospiro[adamantane-2,2'-pyrrole]-5'-ol

Mol. Formula:
C13H19NO

M.W.:
205.30

Type:
Small molecule

AlogP:
2.09

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.64

DETAILS

ALA1170182

Name:
2-Propyl-adamantan-2-ylamine

Mol. Formula:
C13H23N

M.W.:
193.33

39 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
26.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA1170181

Name:
2-Ethyl-adamantan-2-ylamine

Mol. Formula:
C12H21N

M.W.:
179.31

19 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
26.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.66

DETAILS

ALA1172027

Name:
2-methyl-2-adamantanamine

Mol. Formula:
C11H19N

M.W.:
165.28

22 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.16

Polar Surface Area:
26.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.58

DETAILS

ALA1170180

Name:
3-fluoro-1-adamantanamine

Mol. Formula:
C10H16FN

M.W.:
169.24

Type:
Small molecule

AlogP:
2.01

Polar Surface Area:
26.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.59

DETAILS

Adamantan-2-amine

Name:
2-adamantanamine

Mol. Formula:
C10H17N

M.W.:
151.25

26 activity values

8 unique targets

Type:
Small molecule

AlogP:
1.77

Polar Surface Area:
26.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.56

DETAILS

Cyclooctylamine

Name:
cyclooctanamine

Mol. Formula:
C8H17N

M.W.:
127.23