Compounds

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3275471

Name:
N-n-Propylnormorphine

Mol. Formula:
C19H23NO3

M.W.:
313.40

Type:
Small molecule

AlogP:
1.98

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3275470

Name:
N-(alpha-methylphenethyl)normorphine

Mol. Formula:
C25H27NO3

M.W.:
389.50

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3275469

Name:
NA

Mol. Formula:
C23H29NO3

M.W.:
367.49

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3275468

Name:
NA

Mol. Formula:
C22H25NO3

M.W.:
351.45

5 activity values

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3272387

Name:
NA

Mol. Formula:
C22H27NO3

M.W.:
353.46

5 activity values

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3275467

Name:
NA

Mol. Formula:
C21H25NO3

M.W.:
339.44

Type:
Small molecule

AlogP:
2.51

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3275466

Name:
NA

Mol. Formula:
C21H27NO3

M.W.:
341.45

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3275465

Name:
NA

Mol. Formula:
C21H27NO3

M.W.:
341.45

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3275464

Name:
(S)-N-(alpha-methylallyl)-normorphine

Mol. Formula:
C20H23NO3

M.W.:
325.41

Type:
Small molecule

AlogP:
2.14

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3275463

Name:
(R)-N-(alpha-methylallyl)-normorphine

Mol. Formula:
C20H23NO3

M.W.:
325.41

Type:
Small molecule

AlogP:
2.14

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3275462

Name:
(R)-N-sec-butyl-normorphine

Mol. Formula:
C20H25NO3

M.W.:
327.42

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3275461

Name:
(S)-N-sec-butyl-normorphine

Mol. Formula:
C20H25NO3

M.W.:
327.42

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3275460

Name:
N-(alpha,alpha-dimethylphenethyl)-normorphine

Mol. Formula:
C26H29NO3

M.W.:
403.52

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3275459

Name:
N-(alpha,alpha-dimethylallyl)-normorphine

Mol. Formula:
C21H25NO3

M.W.:
339.44

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3275458

Name:
N-tert-amyl-normorphine

Mol. Formula:
C21H27NO3

M.W.:
341.45

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3274992

Name:
1-methylpiperidin-4-yl benzo[d][1,3]dioxole-5-carboxylate hydrochloride

Mol. Formula:
C14H18ClNO4

M.W.:
299.75

11 activity values

Type:
Small molecule

AlogP:
1.67

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3250508

Name:
(S)-2-((3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S)-21,36Show More⌵

Mol. Formula:
C160H255N39O47

M.W.:
3477.03

10 activity values

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3250507

Name:
(S)-2-((3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S)-21,36Show More⌵

Mol. Formula:
C160H255N39O46S

M.W.:
3493.09

12 activity values

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3250506

Name:
(S)-2-((3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S)-21,36Show More⌵

Mol. Formula:
C159H253N39O46S

M.W.:
3479.07

10 activity values