Compounds

Type:
---

AlogP:
4.22

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5196982

Name:
(trans)-(S)-4-(3-(2-hydroxyethyl)phenoxy)-N-methyl-N-(3-methyl-4-((3-methylShow More⌵

Mol. Formula:
C29H41N3O3

M.W.:
479.67

Type:
---

AlogP:
3.92

Polar Surface Area:
65.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5196819

Name:
(trans)-(S)-4-(2-cyanopyridin-4-yloxy)-N-(4-((3-ethylpiperazin-1-yl)methyl)Show More⌵

Mol. Formula:
C28H37N5O2

M.W.:
475.64

5 activity values

Type:
---

AlogP:
4.05

Polar Surface Area:
81.49

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5203126

Name:
(trans)-(S)-4-(5-(hydroxymethyl)-2-methylphenoxy)-N-methyl-N-(3-methyl-4-((Show More⌵

Mol. Formula:
C29H41N3O3

M.W.:
479.67

Type:
---

AlogP:
4.19

Polar Surface Area:
65.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

DS-3801b free base

Name:
(trans)-(S)-4-(3-(hydroxymethyl)phenoxy)-N-methyl-N-(3-methyl-4-((3-methylpShow More⌵

Mol. Formula:
C28H39N3O3

M.W.:
465.64

14 activity values

8 unique targets

Type:
---

AlogP:
3.88

Polar Surface Area:
65.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5192584

Name:
(trans)-(S)-4-(3-(ethoxymethyl)phenylamino)-N-methyl-N-(3-methyl-4-((3-methShow More⌵

Mol. Formula:
C30H44N4O2

M.W.:
492.71

Type:
---

AlogP:
4.96

Polar Surface Area:
56.84

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5192530

Name:
(trans)-(S)-4-(3-(2-(isopropylamino)-2-oxoethyl)phenoxy)-N-methyl-N-(3-methShow More⌵

Mol. Formula:
C32H46N4O3

M.W.:
534.75

Type:
---

AlogP:
4.46

Polar Surface Area:
73.91

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5190786

Name:
(trans)-(S)-4-(4-fluoro-3-(hydroxymethyl)phenoxy)-N-methyl-N-(3-methyl-4-((Show More⌵

Mol. Formula:
C28H38FN3O3

M.W.:
483.63

Type:
---

AlogP:
4.02

Polar Surface Area:
65.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5187975

Name:
(trans)-(S)-4-(4-fluorophenoxy)-N-(4-((3-methylpiperazin-1-yl)methyl)phenylShow More⌵

Mol. Formula:
C25H32FN3O2

M.W.:
425.55

2 activity values

2 unique targets

Type:
---

AlogP:
4.20

Polar Surface Area:
53.60

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5187928

Name:
(trans)-(S)-4-(4-fluorophenoxy)-N-methyl-N-(3-methyl-4-((3-methylpiperazin-Show More⌵

Mol. Formula:
C27H36FN3O2

M.W.:
453.60

Type:
---

AlogP:
4.53

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5187776

Name:
(trans)-(S)-4-(4-fluorophenoxy)-N-methyl-N-(2-methyl-4-((3-methylpiperazin-Show More⌵

Mol. Formula:
C27H36FN3O2

M.W.:
453.60

Type:
---

AlogP:
4.53

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5184722

Name:
(trans)-(S)-4-(5-fluoropyridin-2-yloxy)-N-methyl-N-(3-methyl-4-((3-methylpiShow More⌵

Mol. Formula:
C26H35FN4O2

M.W.:
454.59

Type:
---

AlogP:
3.92

Polar Surface Area:
57.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5181246

Name:
(trans)-(S)-3-(4-(methyl(3-methyl-4-((3-methylpiperazin-1-yl)methyl)phenyl)Show More⌵

Mol. Formula:
C28H37N3O4

M.W.:
479.62

Type:
---

AlogP:
4.09

Polar Surface Area:
82.11

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5179573

Name:
(trans)-(S)-4-(4-chloro-3-(hydroxymethyl)phenoxy)-N-methyl-N-(3-methyl-4-((Show More⌵

Mol. Formula:
C28H38ClN3O3

M.W.:
500.08

Type:
---

AlogP:
4.54

Polar Surface Area:
65.04

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5179543

Name:
(trans)-(S)-N-(3-chloro-4-((3-methylpiperazin-1-yl)methyl)phenyl)-4-(4-fluoShow More⌵

Mol. Formula:
C26H33ClFN3O2

M.W.:
474.02

Type:
---

AlogP:
4.87

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5179463

Name:
(trans)-4-(4-fluorophenoxy)-N-methyl-N-(3-methyl-4-(piperazin-1-ylmethyl)phShow More⌵

Mol. Formula:
C26H34FN3O2

M.W.:
439.58

Type:
---

AlogP:
4.14

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5179060

Name:
(trans)-(S)-N-(4-((3-ethylpiperazin-1-yl)methyl)-3-methylphenyl)-4-(4-fluorShow More⌵

Mol. Formula:
C28H38FN3O2

M.W.:
467.63

Type:
---

AlogP:
4.92

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5175905

Name:
(S)-N-(3-fluorophenyl)-1-(3-(4-((3-methylpiperazin-1-yl)methyl)phenyl)pyridShow More⌵

Mol. Formula:
C28H34FN5

M.W.:
459.61

2 activity values

2 unique targets

Type:
---

AlogP:
4.76

Polar Surface Area:
43.43

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5171964

Name:
(trans)-(S)-4-(3-(2-hydroxy-2-methylpropyl)phenoxy)-N-methyl-N-(3-methyl-4-Show More⌵

Mol. Formula:
C31H45N3O3

M.W.:
507.72

Type:
---

AlogP:
4.70

Polar Surface Area:
65.04

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2372767

Name:
Motilin

Mol. Formula:
C120H188N34O35S

M.W.:
2699.09

5 activity values