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ALA3144363 Name:
2-[3-{4-[Bis-(2-chloro-ethyl)-amino]-phenyl}-2-(2-
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Mol. Formula:
C42H60Cl2N6O7
M.W.:
831.88
Type:
Protein
AlogP:
4.39
Polar Surface Area:
180.41
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
25
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA2310924 Name:
4,5alpha-Epoxy-3,6beta, 14-trihydroxy-6alpha-(2-ca
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Mol. Formula:
C21H23NO5
M.W.:
369.42
Type:
Small molecule
AlogP:
1.42
Polar Surface Area:
79.23
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA1908323 Name:
4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.0
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Cas Number:
524713-56-2
Mol. Formula:
C18H25NO
M.W.:
271.40
Type:
Small molecule
AlogP:
3.38
Polar Surface Area:
12.47
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA607393 Name:
22-phenethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.0
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Mol. Formula:
C30H28N2O3
M.W.:
464.57
Type:
Small molecule
AlogP:
4.41
Polar Surface Area:
68.72
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA607339 Name:
22-phenethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.0
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Mol. Formula:
C30H28N2O2
M.W.:
448.57
Type:
Small molecule
AlogP:
5.29
Polar Surface Area:
48.49
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA606884 Name:
11-ethyl-12,17-dimethyl-17-azatetracyclo[7.5.3.01,
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Mol. Formula:
C21H31NO
M.W.:
313.49
Type:
Small molecule
AlogP:
4.27
Polar Surface Area:
12.47
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA606883 Name:
17-cyclobutylmethyl-11-ethyl-12-methyl-17-azatetra
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Mol. Formula:
C24H35NO
M.W.:
353.55
Type:
Small molecule
AlogP:
5.13
Polar Surface Area:
23.47
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA606882 Name:
11,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]h
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Mol. Formula:
C18H25NO
M.W.:
271.40
Type:
Small molecule
AlogP:
3.33
Polar Surface Area:
23.47
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA606833 Name:
4-methoxy-11,12,17-trimethyl-17-azatetracyclo[7.5.
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Mol. Formula:
C20H29NO
M.W.:
299.46
Type:
Small molecule
AlogP:
3.88
Polar Surface Area:
12.47
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA606832 Name:
4-cyclobutylmethyl-10-methoxy-12-oxa-4-azapentacyc
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Mol. Formula:
C22H29NO2
M.W.:
339.48
Type:
Small molecule
AlogP:
3.92
Polar Surface Area:
21.70
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA606831 Name:
12,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]h
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Mol. Formula:
C18H25NO
M.W.:
271.40
Type:
Small molecule
AlogP:
3.33
Polar Surface Area:
23.47
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA606830 Name:
17-cyclobutylmethyl-11-ethyl-12-methyl-17-azatetra
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Mol. Formula:
C25H37NO
M.W.:
367.58
Type:
Small molecule
AlogP:
5.44
Polar Surface Area:
12.47
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA606829 Name:
10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0
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Mol. Formula:
C18H23NO2
M.W.:
285.39
Type:
Small molecule
AlogP:
2.75
Polar Surface Area:
21.70
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.79
DETAILS
CLOSE
ALA606780 Name:
4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.
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Mol. Formula:
C17H21NO2
M.W.:
271.36
Type:
Small molecule
AlogP:
2.45
Polar Surface Area:
32.70
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.79
DETAILS
CLOSE
ALA606779 Name:
17-cyclobutylmethyl-11-ethyl-17-azatetracyclo[7.5.
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Mol. Formula:
C24H35NO
M.W.:
353.55
Type:
Small molecule
AlogP:
5.19
Polar Surface Area:
12.47
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA606778 Name:
17-cyclobutylmethyl-4-hydroxy-17-azatetracyclo[7.5
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Mol. Formula:
C21H27NO2
M.W.:
325.45
Type:
Small molecule
AlogP:
3.43
Polar Surface Area:
40.54
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA606777 Name:
17-cyclobutylmethyl-4-methoxy-12-methyl-17-azatetr
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Mol. Formula:
C23H31NO2
M.W.:
353.51
Type:
Small molecule
AlogP:
3.98
Polar Surface Area:
29.54
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA606776 Name:
4-cyclobutylmethyl-16-methyl-12-oxa-4-azapentacycl
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Mol. Formula:
C22H29NO2
M.W.:
339.48
Type:
Small molecule
AlogP:
3.87
Polar Surface Area:
32.70
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA606725 Name:
10-methoxy-4,16-dimethyl-12-oxa-4-azapentacyclo[9.
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Mol. Formula:
C19H25NO2
M.W.:
299.41
Type:
Small molecule
AlogP:
3.00
Polar Surface Area:
21.70
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA606724 Name:
11,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]h
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Mol. Formula:
C19H27NO
M.W.:
285.43
Type:
Small molecule
AlogP:
3.63
Polar Surface Area:
12.47
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
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