Compounds

Type:
Unknown

AlogP:
2.93

Polar Surface Area:
34.03

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4475742

Name:
methyl 1-(2-propionamidoethyl)-1H-indole-2-carboxylate

Mol. Formula:
C15H18N2O3

M.W.:
274.32

1 activity values

Type:
Unknown

AlogP:
1.95

Polar Surface Area:
60.33

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA3310258

Name:
trans-N,N-Diethyl-2-4b,6,7,8,8a,9-hexahydro-1,3-dioxa-5-aza-cyclopenta[b]flShow More⌵

Mol. Formula:
C19H26N2O3

M.W.:
330.43

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
42.01

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA3310257

Name:
trans-2-4b,6,7,8,8a,9-Hexahydro-1,3-dioxa-5-aza-cyclopenta[b]fluoren-5-yl-1Show More⌵

Mol. Formula:
C20H26N2O3

M.W.:
342.44

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
42.01

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3310256

Name:
trans-2-4b,6,7,8,8a,9-Hexahydro-1,3-dioxa-5-aza-cyclopenta[b]fluoren-5-yl-NShow More⌵

Mol. Formula:
C21H22N2O3

M.W.:
350.42

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
50.80

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA3310255

Name:
trans-4b,6,7,8,8a,9-Hexahydro-1,3-dioxa-5-aza-cyclopenta[b]fluorene-5-carboShow More⌵

Mol. Formula:
C20H19FN2O3

M.W.:
354.38

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
50.80

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3309943

Name:
trans-5,6,7,8,8a,9-Hexahydro-4bH-1,3-dioxa-5-aza-cyclopenta[b]fluorene

Mol. Formula:
C13H15NO2

M.W.:
217.27

Type:
Small molecule

AlogP:
2.01

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA3309942

Name:
trans-7-chloro-N-ethyl-8-methoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyShow More⌵

Mol. Formula:
C16H21ClN2O2

M.W.:
308.81

3 activity values

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA3309941

Name:
trans-1-(-7-chloro-8-methoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridiShow More⌵

Mol. Formula:
C15H18ClNO2

M.W.:
279.77

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3309940

Name:
trans-7-chloro-8-methoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine

Mol. Formula:
C13H16ClNO

M.W.:
237.73

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
21.26

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.81

DETAILS

2-[¹²⁵I]melatonin

Name:
N-[2-(2-Iodo-5-methoxy-1H-indol-3-yl)-ethyl]-acetamide (2-[125I]-iodomelatoShow More⌵

Mol. Formula:
C13H15IN2O2

M.W.:
356.18

1 activity values

Type:
Small molecule

AlogP:
2.46

Polar Surface Area:
54.12

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA433655

Name:
(R) 2,2,2-Trifluoro-N-[2-(6-methoxy-indan-1-yl)-ethyl]-acetamide

Mol. Formula:
C14H16F3NO2

M.W.:
287.28

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA135136

Name:
2,2,2-Trifluoro-N-[2-(6-methoxy-5-methyl-indan-1-yl)-ethyl]-acetamide

Mol. Formula:
C15H18F3NO2

M.W.:
301.31

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA424641

Name:
N-[2-(6,7-Dimethoxy-indan-1-yl)-ethyl]-acetamide

Mol. Formula:
C15H21NO3

M.W.:
263.34

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
47.56

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA339840

Name:
N-[2-(5,6-Dimethoxy-indan-1-yl)-ethyl]-acetamide

Mol. Formula:
C15H21NO3

M.W.:
263.34

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
47.56

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA132463

Name:
2,2,2-Trifluoro-N-[2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ylShow More⌵

Mol. Formula:
C16H20F3NO2

M.W.:
315.34

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA133601

Name:
2,2,2-Trifluoro-N-[2-(7-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-ethyl]-Show More⌵

Mol. Formula:
C15H18F3NO2

M.W.:
301.31

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA132406

Name:
(S) N-[2-(6-Methoxy-indan-1-yl)-ethyl]-acetamide

Mol. Formula:
C14H19NO2

M.W.:
233.31

Type:
Small molecule

AlogP:
2.25

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA134171

Name:
N-[2-(6-Methoxy-indan-1-yl)-ethyl]-acetamide

Mol. Formula:
C14H19NO2

M.W.:
233.31

Type:
Small molecule

AlogP:
2.25

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA334795

Name:
(R) N-[2-(6-Methoxy-indan-1-yl)-ethyl]-acetamide

Mol. Formula:
C14H19NO2

M.W.:
233.31