Compounds

Type:
Unknown

AlogP:
5.80

Polar Surface Area:
222.38

HBA:
16

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3759618

Name:
2-Chloro-10-(2-chloroethyl)-10H-phenoxazine

Mol. Formula:
C14H11Cl2NO

M.W.:
280.15

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3759632

Name:
2-Chloro-N-(5-chloro-2-phenoxyphenyl)acetamide

Cas Number:
54810-28-5

Mol. Formula:
C14H11Cl2NO2

M.W.:
296.15

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA3758271

Name:
2-Chloro-1-(5H-dibenzo[b,f]azepin-5-yl)ethan-1-one

Cas Number:
41216-96-0

Mol. Formula:
C16H12ClNO

M.W.:
269.73

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3758404

Name:
2-Chloro-1-(7-chlorodibenzo[b,e][1,4]oxazepin-5(11
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Mol. Formula:
C15H11Cl2NO2

M.W.:
308.16

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3758248

Name:
2,3-Dichloro-1-(10H-phenoxazin-10-yl)propan-1-one

Mol. Formula:
C15H11Cl2NO2

M.W.:
308.16

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3759299

Name:
3,3-Dichloro-1-(10H-phenoxazin-10-yl)propan-1-one

Mol. Formula:
C14H9Cl2NO2

M.W.:
294.14

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3759769

Name:
2-chloro-1-(10H-phenoxazin-10-yl)propan-1-one

Mol. Formula:
C15H12ClNO2

M.W.:
273.72

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3759243

Name:
2-Chloro-1-(2-(trifluoromethyl)-10H-phenoxazin-10-
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Mol. Formula:
C15H9ClF3NO2

M.W.:
327.69

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3758694

Name:
3-Oxo-3-(10H-phenoxazin-10-yl)propanenitrile

Mol. Formula:
C15H10N2O2

M.W.:
250.26

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
53.33

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3759174

Name:
2-Bromo-1-(2-chloro-10H-phenoxazin-10-yl)ethan-1-o
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Mol. Formula:
C14H9BrClNO2

M.W.:
338.59

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3759123

Name:
2-Chloro-1-(2,8-dichloro-10H-phenoxazin-10-yl)etha
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Mol. Formula:
C14H8Cl3NO2

M.W.:
328.58

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3759213

Name:
4-Chloro-1-(2-chloro-10H-phenoxazin-10-yl)butan-1-
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Mol. Formula:
C16H13Cl2NO2

M.W.:
322.19

Type:
Small molecule

AlogP:
5.13

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3759105

Name:
3-Chloro-1-(2-chloro-10H-phenoxazin-10-yl)propan-1
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Mol. Formula:
C15H11Cl2NO2

M.W.:
308.16

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3759988

Name:
3-Chloro-1-(10H-phenoxazin-10-yl)propan-1-one

Mol. Formula:
C15H12ClNO2

M.W.:
273.72

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3758242

Name:
2-Chloro-1-(2-chloro-10H-phenoxazin-10-yl)ethan-1-
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Mol. Formula:
C14H9Cl2NO2

M.W.:
294.14

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2179006

Name:
2-(4-((4-(3-aminopropylamino)butylamino)methyl)phe
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Mol. Formula:
C30H32F3N3O5

M.W.:
571.60

11 activity values

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
93.45

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2179001

Name:
2-(4-((3-(4-(3-aminopropylamino)butylamino)propyla
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Mol. Formula:
C29H37F3N4O5

M.W.:
578.63

11 activity values

Type:
Small molecule

AlogP:
2.82

Polar Surface Area:
105.48

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2179000

Name:
2-(4-((5-Aminopentylamino)methyl)phenoxy)anthracen
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Mol. Formula:
C28H27F3N2O5

M.W.:
528.53

20 activity values

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
81.42

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2177124

Name:
2-(4-((4-aminobutylamino)methyl)phenoxy)anthracene
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Mol. Formula:
C27H25F3N2O5

M.W.:
514.50

11 activity values