Compounds

ALA4797832

Name:
Cyclostellettamine F

Mol. Formula:
C42H64F6N2O4

M.W.:
774.97

3 activity values

3 unique targets

Type:
Unknown

AlogP:
10.42

Polar Surface Area:
7.76

HBA:
---

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4788850

Name:
Cyclostellettamine B

Mol. Formula:
C39H58F6N2O4

M.W.:
732.89

3 activity values

3 unique targets

Type:
Unknown

AlogP:
9.25

Polar Surface Area:
7.76

HBA:
---

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4750886

Name:
Cyclostellettamine E

Mol. Formula:
C41H62F6N2O4

M.W.:
760.95

3 activity values

3 unique targets

Type:
Unknown

AlogP:
10.03

Polar Surface Area:
7.76

HBA:
---

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4749898

Name:
Cyclostellettamine D

Mol. Formula:
C40H60F6N2O4

M.W.:
746.92

3 activity values

3 unique targets

Type:
Unknown

AlogP:
9.64

Polar Surface Area:
7.76

HBA:
---

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4745892

Name:
Cyclostellettamine A

Mol. Formula:
C38H56F6N2O4

M.W.:
718.86

3 activity values

3 unique targets

Type:
Unknown

AlogP:
8.86

Polar Surface Area:
7.76

HBA:
---

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4743200

Name:
Cyclostellettamine C

Mol. Formula:
C40H60F6N2O4

M.W.:
746.92

3 activity values

3 unique targets

Type:
Unknown

AlogP:
9.64

Polar Surface Area:
7.76

HBA:
---

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA1162964

Name:
2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hShow More⌵

Mol. Formula:
C27H34N2O2

M.W.:
418.58

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA250834

Name:
(R)-N-((1S,5R,6s)-3-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-3-aza-bicyclo[3.1.0Show More⌵

Mol. Formula:
C27H32N2O4

M.W.:
448.56

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
71.03

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA250031

Name:
(S)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-(4-methylpent-3-enyl)-3-aza-bicShow More⌵

Mol. Formula:
C24H34N2O2

M.W.:
382.55

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA400167

Name:
(2R)-2-cyclopentyl-2-hydroxy-N-[(1R,5S,6S)-3-(4-methylpent-3-en-1-yl)-3-azaShow More⌵

Mol. Formula:
C24H34N2O2

M.W.:
382.55

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA250030

Name:
2-cyclopentyl-2-hydroxy-N-[(1R,5S,6S)-3-(4-methylpent-3-en-1-yl)-3-azabicycShow More⌵

Mol. Formula:
C24H34N2O2

M.W.:
382.55

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA249830

Name:
(R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-phenethyl-3-aza-bicyclo[3.1.0]hShow More⌵

Mol. Formula:
C26H32N2O2

M.W.:
404.55

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA249206

Name:
(R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-(naphthalen-2-ylmethyl)-3-aza-bShow More⌵

Mol. Formula:
C29H32N2O2

M.W.:
440.59

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA249205

Name:
(R)-N-((1S,5R,6s)-3-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-3-aza-bicyclo[3.1.0Show More⌵

Mol. Formula:
C27H32N2O4

M.W.:
448.56

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
71.03

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA249204

Name:
methyl 4-(2-((1S,5R,6s)-6-((R)-2-cyclopentyl-2-hydroxy-2-phenylacetamido)-3Show More⌵

Mol. Formula:
C28H34N2O4

M.W.:
462.59

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
78.87

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA249007

Name:
(R)-N-((1S,5R,6s)-3-(4-chlorophenethyl)-3-aza-bicyclo[3.1.0]hexan-6-yl)-2-cShow More⌵

Mol. Formula:
C26H31ClN2O2

M.W.:
439.00

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA401154

Name:
(R)-N-((1S,5R,6s)-3-(3,4-dimethylphenethyl)-3-aza-bicyclo[3.1.0]hexan-6-yl)Show More⌵

Mol. Formula:
C28H36N2O2

M.W.:
432.61

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA249006

Name:
(R)-2-cyclopentyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)-3-(1-p-tolylethyl)-3-azaShow More⌵

Mol. Formula:
C27H34N2O2

M.W.:
418.58

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA249005

Name:
(R)-2-cyclopentyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)-3-(thiophen-2-ylmethyl)-Show More⌵

Mol. Formula:
C23H28N2O2S

M.W.:
396.56

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
52.57

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA248811

Name:
(R)-2-cycloheptyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)-3-(1-phenylethyl)-3-aza-Show More⌵

Mol. Formula:
C28H36N2O2

M.W.:
432.61

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS