Compounds

ALA98198

Name:
(1S,2R,11aS)-2-Isopropenyl-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinShow More⌵

Mol. Formula:
C16H21NO

M.W.:
243.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA317584

Name:
platinum complex

Mol. Formula:
H4Cl2N2Pt-2

M.W.:
298.03

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA98107

Name:
Benzyl-((1R,2R,11aS)-2-isopropenyl-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-bShow More⌵

Mol. Formula:
C23H28N2

M.W.:
332.49

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
15.27

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA318893

Name:
((1R,2R,11aS)-2-Isopropenyl-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquiShow More⌵

Mol. Formula:
C18H23F3N2

M.W.:
324.39

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
15.27

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA101677

Name:
[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-((1S,2R,11aS)-2-isopropyl-1,3,4,6,11Show More⌵

Mol. Formula:
C23H27ClN2

M.W.:
366.94

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.23

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA319074

Name:
(7aR,13aS,13bS)-10-Chloro-8,8-dimethyl-6,7,7a,8,13,13a,13b,14-octahydro-5H-Show More⌵

Mol. Formula:
C22H25ClN2

M.W.:
352.91

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
15.27

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA98873

Name:
(7aR,13aS,13bS)-8,8,10-Trimethyl-6,7,7a,8,13,13a,13b,14-octahydro-5H-5a,13-Show More⌵

Mol. Formula:
C23H28N2

M.W.:
332.49

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
15.27

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA95326

Name:
(7aR,13aS,13bS)-8,8-Dimethyl-10-trifluoromethyl-6,7,7a,8,13,13a,13b,14-octaShow More⌵

Mol. Formula:
C23H25F3N2

M.W.:
386.46

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.22

Polar Surface Area:
15.27

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA319088

Name:
(7aR,13aS,13bS)-10-Methoxy-8,8-dimethyl-6,7,7a,8,13,13a,13b,14-octahydro-5HShow More⌵

Mol. Formula:
C23H28N2O

M.W.:
348.49

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
24.50

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA98320

Name:
(7aR,13aS,13bS)-8,8,12-Trimethyl-6,7,7a,8,13,13a,13b,14-octahydro-5H-5a,13-Show More⌵

Mol. Formula:
C23H28N2

M.W.:
332.49

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
15.27

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA95252

Name:
(4-Chloro-benzyl)-((1S,2R,11aS)-2-isopropenyl-1,3,4,6,11,11a-hexahydro-2H-pShow More⌵

Mol. Formula:
C23H27ClN2

M.W.:
366.94

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
15.27

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA329476

Name:
(7aR,13aS,13bS)-8,8-Dimethyl-6,7,7a,8,13,13a,13b,14-octahydro-5H-5a,13-diazShow More⌵

Mol. Formula:
C22H26N2

M.W.:
318.46

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
15.27

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.78

DETAILS