Compounds

ALA5272610

Name:
11-(p-Methoxyphenyl)-akuammine

Mol. Formula:
C29H32N2O5

M.W.:
488.58

Type:
---

AlogP:
3.70

Polar Surface Area:
71.47

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5271829

Name:
N-(3-(4-((1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazin-1-yl)phShow More⌵

Mol. Formula:
C22H27FN6O2S

M.W.:
458.56

Type:
---

AlogP:
2.88

Polar Surface Area:
83.36

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5271326

Name:
2-methyl-1'-phenethyl-3,4-dihydro-2H-spiro[isoquinoline-1,4'-piperidine]

Mol. Formula:
C22H28N2

M.W.:
320.48

Type:
---

AlogP:
3.71

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5270785

Name:
10-(3'-Furanyl)-pseduoakuammigine

Mol. Formula:
C26H28N2O4

M.W.:
432.52

Type:
---

AlogP:
3.57

Polar Surface Area:
55.15

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5270180

Name:
N-(3-(1-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl)piperidin-4-yl)phenyl)propaShow More⌵

Mol. Formula:
C23H29N5O2S

M.W.:
439.59

Type:
---

AlogP:
3.80

Polar Surface Area:
80.12

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5269000

Name:
10-Cyanopseudoakuammigine

Mol. Formula:
C23H25N3O3

M.W.:
391.47

Type:
---

AlogP:
2.19

Polar Surface Area:
65.80

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5268732

Name:
10-Bromopseudookuammigine

Mol. Formula:
C22H25BrN2O3

M.W.:
445.36

Type:
---

AlogP:
3.08

Polar Surface Area:
42.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5268686

Name:
11-(p-Tolyl)-akuammine

Mol. Formula:
C29H32N2O4

M.W.:
472.59

Type:
---

AlogP:
4.00

Polar Surface Area:
62.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5268264

Name:
3-(1-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl)piperidin-4-yl)phenyl acetate

Mol. Formula:
C22H24N4O2

M.W.:
376.46

Type:
---

AlogP:
3.57

Polar Surface Area:
60.25

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5282233

Name:
(5S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3,8,14-trioxShow More⌵

Mol. Formula:
C29H36N6O6

M.W.:
564.64

Type:
---

AlogP:
-0.94

Polar Surface Area:
205.74

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5281919

Name:
11-(3'-Furanyl)-akuammine

Mol. Formula:
C26H28N2O5

M.W.:
448.52

Type:
---

AlogP:
3.28

Polar Surface Area:
75.38

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5281430

Name:
N-benzyl-N-methyl-2-((1-methyl-1H-pyrazol-5-yl)(thiophen-2-yl)methoxy)ethanShow More⌵

Mol. Formula:
C19H23N3OS

M.W.:
341.48

Type:
---

AlogP:
3.72

Polar Surface Area:
30.29

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5280172

Name:
N-1-Ethyl Psuedoakuammigine

Mol. Formula:
C23H28N2O3

M.W.:
380.49

Type:
---

AlogP:
2.70

Polar Surface Area:
42.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5280075

Name:
2-ethyl-1'-phenethyl-2,3-dihydro-1H-spiro[isoquinoline-4,4'-piperidin]-1-onShow More⌵

Mol. Formula:
C23H28N2O

M.W.:
348.49

Type:
---

AlogP:
3.74

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5279480

Name:
O-Methylakuammine

Mol. Formula:
C23H28N2O4

M.W.:
396.49

Type:
---

AlogP:
2.32

Polar Surface Area:
51.24

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5279071

Name:
11-(p-Fluorophenyl)-akuammine

Mol. Formula:
C28H29FN2O4

M.W.:
476.55

Type:
---

AlogP:
3.83

Polar Surface Area:
62.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5278521

Name:
(2S,5S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-benzyl-Show More⌵

Mol. Formula:
C28H36N6O6

M.W.:
552.63

Type:
---

AlogP:
-0.87

Polar Surface Area:
205.74

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5277873

Name:
16-Hydroxymethyl Pseudoakuammigine

Mol. Formula:
C21H26N2O2

M.W.:
338.45

Type:
---

AlogP:
2.13

Polar Surface Area:
35.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5277867

Name:
(9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9-yl)(pyridin-2-yl)methanoShow More⌵

Mol. Formula:
C26H33N3O2

M.W.:
419.57

Type:
---

AlogP:
3.94

Polar Surface Area:
45.67

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5276128

Name:
11-Iodoakuammine

Mol. Formula:
C22H25IN2O4

M.W.:
508.36

Type:
---

AlogP:
2.62

Polar Surface Area:
62.24

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.36

DETAILS