Compounds

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
55.17

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3735947

Name:
2-Nitro-N-(3-phenylpropyl)-6,7,8,9-tetrahydro-5H-b
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Mol. Formula:
C20H24N2O2

M.W.:
324.42

7 activity values

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
55.17

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3735485

Name:
2-Nitro-N-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-be
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Mol. Formula:
C19H22N2O2

M.W.:
310.40

5 activity values

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
55.17

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3735173

Name:
N-Benzyl-2-nitro-6,7,8,9-tetrahydro-5H-benzo[7]ann
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Mol. Formula:
C18H20N2O2

M.W.:
296.37

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
55.17

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5277145

Name:
3-(2,8-dimethyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b
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Mol. Formula:
C26H28F3N5O

M.W.:
483.54

Type:
---

AlogP:
4.97

Polar Surface Area:
45.78

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5273633

Name:
2-ethyl-8-methyl-5-(2-(trifluoromethyl)imidazo[1,2
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Mol. Formula:
C22H21F3N4

M.W.:
398.43

Type:
---

AlogP:
4.98

Polar Surface Area:
25.47

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5271717

Name:
3-(8-ethyl-2-methyl-1,2,3,4-tetrahydro-5H-pyrido[4
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Mol. Formula:
C29H29N3OS

M.W.:
467.64

Type:
---

AlogP:
6.41

Polar Surface Area:
28.48

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4754021

Name:
3-(3-Phenylpropyl)-1,2,3,4,5,6-hexahydro-3-benzazo
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Mol. Formula:
C20H25N

M.W.:
279.43

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4800530

Name:
N-(4-phenylbutyl)indan-2-amine

Mol. Formula:
C19H23N

M.W.:
265.40

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
12.03

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4778291

Name:
3-(4-Phenylbutyl)-1,2,3,4,5,6-hexahydro-3-benzazoc
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Mol. Formula:
C21H27N

M.W.:
293.45

6 activity values

Type:
Unknown

AlogP:
4.50

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4759924

Name:
N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-2-a
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Mol. Formula:
C20H25N

M.W.:
279.43

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
12.03

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4759856

Name:
N-phenethyl-2,3-dihydro-1H-inden-2-amine

Mol. Formula:
C17H19N

M.W.:
237.35

Type:
Unknown

AlogP:
2.99

Polar Surface Area:
12.03

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4758763

Name:
4-Benzyl-1-(indan-2-yl)piperidine

Mol. Formula:
C21H25N

M.W.:
291.44

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4513837

Name:
6-(Benzylamino)-5,6,7,8-tetrahydro-4H-[7]annuleno-
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Mol. Formula:
C16H19NOS

M.W.:
273.40

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
32.26

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4520882

Name:
7-Methoxy-3-[4-(pyridin-3-yl)but-3-yn-1-yl]-2,3,4,
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Mol. Formula:
C20H22N2O2

M.W.:
322.41

Type:
Unknown

AlogP:
2.42

Polar Surface Area:
45.59

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4746028

Name:
4-Phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pipe
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Mol. Formula:
C21H25N

M.W.:
291.44

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4745685

Name:
1-(Indan-2-yl)-4-phenylpiperidine

Mol. Formula:
C20H23N

M.W.:
277.41

Type:
Unknown

AlogP:
4.03

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4745317

Name:
N-phenethyl-1,2,3,4-tetrahydronaphthalen-2-amine

Mol. Formula:
C18H21N

M.W.:
251.37

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
12.03

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4744736

Name:
N-benzyl-1,2,3,4-tetrahydronaphthalen-2-amine

Mol. Formula:
C17H19N

M.W.:
237.35

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
12.03

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4740593

Name:
4-Benzy1-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pipe
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Mol. Formula:
C22H27N

M.W.:
305.46