Compounds

ALA3770225

Name:
(-)-[2-(2-Chloro-3-fluoro-6-methoxyphenyl)cyclopro
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Mol. Formula:
C11H14Cl2FNO

M.W.:
266.14

19 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
35.25

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.86

DETAILS

ALA2397913

Name:
(R)-10-methoxy-9-methyl-3,4,11,11a-tetrahydro-1H-p
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Mol. Formula:
C14H18N2O2

M.W.:
246.31

10 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.97

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA2397910

Name:
(R)-7,9-dimethyl-3,4,11,11a-tetrahydro-1H-pyrazino
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Mol. Formula:
C14H18N2O

M.W.:
230.31

9 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.27

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.73

DETAILS

ALA2337102

Name:
(7aS,11aR)-2-(4-Methoxy-2-trifluoromethyl-phenyl)-
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Mol. Formula:
C22H23F3N2O

M.W.:
388.43

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
24.50

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA1957805

Name:
(4-(2,4-difluorophenethyl)piperazin-1-yl)(pyrazolo
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Mol. Formula:
C20H20F2N4O

M.W.:
370.40

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
40.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA1957802

Name:
(3-chloropyrazolo[1,5-a]pyridin-2-yl)(4-(2,4-diflu
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Mol. Formula:
C20H19ClF2N4O

M.W.:
404.85

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
40.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1957801

Name:
(3-bromopyrazolo[1,5-a]pyridin-2-yl)(4-(2,4-difluo
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Mol. Formula:
C20H19BrF2N4O

M.W.:
449.30

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
40.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA1173408

Name:
(Z)-5-((1H-Indol-3yl)methylene)-3-ethyl-2-imino-1-
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Mol. Formula:
C15H16N4O

M.W.:
268.32

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
63.19

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA1173334

Name:
(E)-5-[(5,6-Dichloro-1H-indol-3-yl)methylene]-2-im
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Mol. Formula:
C14H12Cl2N4O

M.W.:
323.18

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
63.19

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1173333

Name:
(E)-5-[(6-Chloro-1H-indol-3yl)methylene]-2-imino-1
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Mol. Formula:
C14H13ClN4O

M.W.:
288.74

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
63.19

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1173820

Name:
(E)-5-[(6-Fluoro-1H-indol-3-yl)methylene]-2-imino-
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Mol. Formula:
C14H13FN4O

M.W.:
272.28

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.99

Polar Surface Area:
63.19

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1172812

Name:
(E)-3-Ethyl-5-[(6-fluoro-1H-indol-3-yl)methylene]-
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Mol. Formula:
C15H15FN4O

M.W.:
286.31

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.38

Polar Surface Area:
63.19

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS