Compounds

Type:
Unknown

AlogP:
1.60

Polar Surface Area:
61.88

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4447664

Name:
(11S)-11-Aminostrychnine

Mol. Formula:
C21H23N3O2

M.W.:
349.43

Type:
Unknown

AlogP:
1.03

Polar Surface Area:
58.80

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4103909

Name:
(E)-11-(Propargyloxyimino)strychnine

Mol. Formula:
C24H23N3O3

M.W.:
401.47

6 activity values

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
54.37

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4102677

Name:
(E)-11-(Methoxyimino)strychnine

Mol. Formula:
C22H23N3O3

M.W.:
377.44

Type:
Small molecule

AlogP:
1.70

Polar Surface Area:
54.37

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4096857

Name:
N-(Strychnin-2-yl)propionamide

Mol. Formula:
C24H27N3O3

M.W.:
405.50

Type:
Small molecule

AlogP:
2.44

Polar Surface Area:
61.88

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4096505

Name:
(E)-11-[(Methoxycarbonylmethyl)oxyimino]strychnine

Mol. Formula:
C24H25N3O5

M.W.:
435.48

Type:
Small molecule

AlogP:
1.25

Polar Surface Area:
80.67

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4096154

Name:
(E)-11-(Butyloxyimino)strychnine

Mol. Formula:
C25H29N3O3

M.W.:
419.53

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
54.37

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4089150

Name:
(E)-11-isonitrosostrychnine

Mol. Formula:
C21H21N3O3

M.W.:
363.42

Type:
Small molecule

AlogP:
1.53

Polar Surface Area:
65.37

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4087535

Name:
(E)-11-(Pentyloxyimino)strychnine

Mol. Formula:
C26H31N3O3

M.W.:
433.55

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
54.37

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4086212

Name:
(E)-11-(Benzyloxyimino)strychnine

Mol. Formula:
C28H27N3O3

M.W.:
453.54

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
54.37

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4084751

Name:
18-Oxostrychnine

Mol. Formula:
C21H20N2O3

M.W.:
348.40

Type:
Small molecule

AlogP:
1.62

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4079657

Name:
(E)-11-(Allyloxyimino)strychnine

Mol. Formula:
C24H25N3O3

M.W.:
403.48

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
54.37

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4069635

Name:
N-Propylstrychnine bromide

Mol. Formula:
C24H29BrN2O2

M.W.:
457.41

6 activity values

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4068867

Name:
(E)-11-(Propyloxyimino)strychnine

Mol. Formula:
C24H27N3O3

M.W.:
405.50

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.49

Polar Surface Area:
54.37

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4066164

Name:
(E)-11-[(Phenylethyl)imino]strychnine

Mol. Formula:
C29H29N3O3

M.W.:
467.57

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
54.37

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4061219

Name:
(E)-11-[(Methoxycarbonylbutyl)oxyimino]strychnine

Mol. Formula:
C27H31N3O5

M.W.:
477.56