Compounds

Type:
Small molecule

AlogP:
0.89

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.60

DETAILS

ALA2114376

Name:
(2R)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine

Mol. Formula:
C10H13N

M.W.:
147.22

Type:
Small molecule

AlogP:
1.50

Polar Surface Area:
26.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.59

DETAILS

ALA2093025

Name:
2-Aminomethyl-decahydro-naphthalen-2-ol

Mol. Formula:
C11H21NO

M.W.:
183.29

4 activity values

Type:
Small molecule

AlogP:
1.67

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.65

DETAILS

(1S,2R)-(+)-Norephedrine

Name:
(1S, 2R)-2-Amino-1-phenyl-propan-1-ol

Mol. Formula:
C9H13NO

M.W.:
151.21

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.07

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.66

DETAILS

ALA2092756

Name:
2-Aminomethyl-decahydro-naphthalen-2-ol

Mol. Formula:
C11H21NO

M.W.:
183.29

4 activity values

Type:
Small molecule

AlogP:
1.67

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.65

DETAILS

ALA2079652

Name:
2-Amino-1-cyclohexyl-ethanol

Mol. Formula:
C8H17NO

M.W.:
143.23

3 activity values

Type:
Small molecule

AlogP:
0.89

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.60

DETAILS

ALA2051934

Name:
2-Amino-1,2,3,4-tetrahydro-naphthalen-1-ol

Mol. Formula:
C10H13NO

M.W.:
163.22

6 activity values

Type:
Small molecule

AlogP:
0.99

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.60

DETAILS

(R)-(-)-2-Phenylglycinol

Name:
(R)2-Amino-2-phenyl-ethanol

Mol. Formula:
C8H11NO

M.W.:
137.18

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.68

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.63

DETAILS

ALA1907935

Name:
(R)2-Amino-3-cyclohexyl-propan-1-ol

Mol. Formula:
C9H19NO

M.W.:
157.26

Type:
Small molecule

AlogP:
1.28

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.65

DETAILS

ALA1788114

Name:
(1R, 2R)-2-Amino-1-phenyl-propan-1-ol

Mol. Formula:
C9H13NO

M.W.:
151.21

Type:
Small molecule

AlogP:
1.07

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.66

DETAILS

ALA1412041

Name:
(1S, 2S)-2-Amino-1-phenyl-propan-1-ol

Mol. Formula:
C9H13NO

M.W.:
151.21

14 activity values

13 unique targets

Type:
Small molecule

AlogP:
1.07

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.66

DETAILS

L-Phenylalaninol

Name:
(S)2-Amino-3-phenyl-propan-1-ol

Mol. Formula:
C9H13NO

M.W.:
151.21

11 activity values

9 unique targets

Type:
Small molecule

AlogP:
0.55

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.66

DETAILS

D-Phenylalaninol

Name:
(R)2-Amino-3-phenyl-propan-1-ol

Mol. Formula:
C9H13NO

M.W.:
151.21

Type:
Small molecule

AlogP:
0.55

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.66

DETAILS

(S)-2-Amino-3-cyclohexylpropan-1-ol

Name:
(S)2-Amino-3-cyclohexyl-propan-1-ol

Mol. Formula:
C9H19NO

M.W.:
157.26

Type:
Small molecule

AlogP:
1.28

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.65

DETAILS

ALA1204148

Name:
2-Amino-1-cyclooctyl-ethanol: Hydrochloride

Mol. Formula:
C10H22ClNO

M.W.:
207.74

33 activity values

16 unique targets

Type:
Small molecule

AlogP:
1.67

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.66

DETAILS

ALA1204147

Name:
2-Amino-1-cyclohexyl-ethanol: Hydrochloride

Mol. Formula:
C8H18ClNO

M.W.:
179.69

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.89

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.60

DETAILS

ALA1202590

Name:
2-Amino-1-bicyclo[2.2.1]hept-2-en-1-yl-ethanol: Hydrochloride

Mol. Formula:
C9H16ClNO

M.W.:
189.69

Type:
Small molecule

AlogP:
0.66

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.57

DETAILS

ALA1202589

Name:
1-Adamantan-1-yl-2-amino-ethanol: Hydrochloride

Mol. Formula:
C12H22ClNO

M.W.:
231.77

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.70

DETAILS

(2S)-tetralin-2-amine

Name:
(2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine

Mol. Formula:
C10H13N

M.W.:
147.22

Type:
Small molecule

AlogP:
1.50

Polar Surface Area:
26.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.59

DETAILS

ALA156687

Name:
1-(9H-Fluoren-2-yl)-ethylamine

Mol. Formula:
C15H15N

M.W.:
209.29