Compounds

Type:
Small molecule

AlogP:
1.93

Polar Surface Area:
98.74

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4113713

Name:
(R,R)-4::US9492405, (R,R)-4

Mol. Formula:
C17H22N2O3

M.W.:
302.37

Type:
Small molecule

AlogP:
1.93

Polar Surface Area:
98.74

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4110387

Name:
(S,R)- 6::US9492405, (S,R)-6

Mol. Formula:
C15H25NO3

M.W.:
267.37

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
72.72

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4108239

Name:
(S,R)-2::US9492405, (S,R)-2

Mol. Formula:
C18H23NO4

M.W.:
317.39

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
81.95

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4108123

Name:
(R,R)- 6::US9492405, (R,R)-6

Mol. Formula:
C15H25NO3

M.W.:
267.37

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
72.72

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3931891

Name:
(S,S)- 2::US9492405, (S,S)-2

Mol. Formula:
C18H23NO4

M.W.:
317.39

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
81.95

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3930835

Name:
(R,S)-6::US9492405, (R,S)-6

Mol. Formula:
C15H25NO3

M.W.:
267.37

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
72.72

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3918348

Name:
(S,S)-6::US9492405, (S,S)-6

Mol. Formula:
C15H25NO3

M.W.:
267.37

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
72.72

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3909417

Name:
(R,S)-4::US9492405, (R,S)-4

Mol. Formula:
C17H22N2O3

M.W.:
302.37

Type:
Small molecule

AlogP:
1.93

Polar Surface Area:
98.74

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3903905

Name:
(S,S)- 4::US9492405, (S,S)-4

Mol. Formula:
C17H22N2O3

M.W.:
302.37

Type:
Small molecule

AlogP:
1.93

Polar Surface Area:
98.74

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3349532

Name:
(alpha R,betaS) (2-Chloro-4-{2-[2-hydroxy-2-(4-hydroxy-phenyl)-1-methyl-ethShow More⌵

Mol. Formula:
C19H22ClNO5

M.W.:
379.84

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
99.02

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3247310

Name:
dl-1-(isopropylamino)-3-(4-((2-methyl-1,3-dioxolan-2-yl)methyl)phenoxy)propShow More⌵

Mol. Formula:
C17H27NO4

M.W.:
309.41

4 activity values

Type:
Small molecule

AlogP:
1.73

Polar Surface Area:
59.95

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3247309

Name:
dl-cis-1-[4-(1-propenyl)-2-methoxyphenoxy]-3-(isopropylamino)propan-2-ol

Mol. Formula:
C16H25NO3

M.W.:
279.38

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
50.72

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3247308

Name:
dl-trans-1-[4-(1-propenyl)-2-methoxyphenoxy]-3-(isopropylamino)propan-2-ol

Mol. Formula:
C16H25NO3

M.W.:
279.38

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
50.72

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3247307

Name:
dl-1-(isopropylamino)-3-(4-propylphenoxy)propan-2-ol hydrochloride

Mol. Formula:
C15H26ClNO2

M.W.:
287.83

Type:
Small molecule

AlogP:
2.38

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3247304

Name:
dl-8-(2-hydroxy-3-(isopropylamino)propoxy)-3,4-dihydrobenzo[f][1,4]oxazepinShow More⌵

Mol. Formula:
C15H22N2O4

M.W.:
294.35

Type:
Small molecule

AlogP:
0.55

Polar Surface Area:
79.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3247303

Name:
dl-7-(2-hydroxy-3-(isopropylamino)propoxy)-2,3,4,5-tetrahydro-1H-benzo[c]azShow More⌵

Mol. Formula:
C16H24N2O3

M.W.:
292.38

Type:
Small molecule

AlogP:
1.10

Polar Surface Area:
70.59

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3247302

Name:
dl-4-(2-hydroxy-3-(isopropylamino)propoxy)benzamide

Mol. Formula:
C13H20N2O3

M.W.:
252.31