Compounds

ALA524005

Name:
Naphthalene-2-carboxylic acid {4-[2-((R)-8-methoxy-1,2,4,4a,5,6-hexahydro-pShow More⌵

Mol. Formula:
C32H39N3O2

M.W.:
497.68

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.66

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA192650

Name:
Naphthalene-2-carboxylic acid [4-((R)-10-methoxy-1,2,4,4a,5,6-hexahydro-pyrShow More⌵

Mol. Formula:
C28H33N3O2

M.W.:
443.59

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA363406

Name:
Naphthalene-2-carboxylic acid [4-((R)-9-methoxy-1,2,4,4a,5,6-hexahydro-pyraShow More⌵

Mol. Formula:
C28H33N3O2

M.W.:
443.59

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA191894

Name:
Naphthalene-2-carboxylic acid {4-[2-((S)-8-methoxy-1,2,4,4a,5,6-hexahydro-pShow More⌵

Mol. Formula:
C32H39N3O2

M.W.:
497.68

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.66

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA427173

Name:
Naphthalene-2-carboxylic acid [(S)-4-(1,2,4,4a,5,6-hexahydro-pyrazino[1,2-aShow More⌵

Mol. Formula:
C27H31N3O

M.W.:
413.57

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA192138

Name:
Naphthalene-2-carboxylic acid [4-((R)-8-methoxy-1,2,4,4a,5,6-hexahydro-pyraShow More⌵

Mol. Formula:
C28H33N3O2

M.W.:
443.59

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA426629

Name:
Naphthalene-2-carboxylic acid [4-((S)-10-methoxy-1,2,4,4a,5,6-hexahydro-pyrShow More⌵

Mol. Formula:
C28H33N3O2

M.W.:
443.59

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA434532

Name:
Naphthalene-2-carboxylic acid [4-((R)-7-methoxy-1,2,4,4a,5,6-hexahydro-pyraShow More⌵

Mol. Formula:
C28H33N3O2

M.W.:
443.59

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA192439

Name:
Naphthalene-2-carboxylic acid [4-((S)-9-methoxy-1,2,4,4a,5,6-hexahydro-pyraShow More⌵

Mol. Formula:
C28H33N3O2

M.W.:
443.59

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA193040

Name:
Naphthalene-2-carboxylic acid [4-((S)-8-methoxy-1,2,4,4a,5,6-hexahydro-pyraShow More⌵

Mol. Formula:
C28H33N3O2

M.W.:
443.59

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA191815

Name:
Naphthalene-2-carboxylic acid [(R)-4-(1,2,4,4a,5,6-hexahydro-pyrazino[1,2-aShow More⌵

Mol. Formula:
C27H31N3O

M.W.:
413.57

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA371200

Name:
Naphthalene-2-carboxylic acid [4-((S)-7-methoxy-1,2,4,4a,5,6-hexahydro-pyraShow More⌵

Mol. Formula:
C28H33N3O2

M.W.:
443.59

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA190821

Name:
Naphthalene-2-carboxylic acid {1-[2-((R)-8-methoxy-1,2,4,4a,5,6-hexahydro-pShow More⌵

Mol. Formula:
C31H38N4O2

M.W.:
498.67

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
48.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA193300

Name:
Naphthalene-2-carboxylic acid {1-[2-((S)-8-methoxy-1,2,4,4a,5,6-hexahydro-pShow More⌵

Mol. Formula:
C31H38N4O2

M.W.:
498.67

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
48.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS