Compounds

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Mianserin HCl
Name:
2-Methyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,e]cycloheptene hydShow More⌵
Mol. Formula:
C18H21ClN2
M.W.:
300.83
1,028 activity values
55 unique targets
Type:
Small molecule
AlogP:
3.08
Polar Surface Area:
6.48
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
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ALA332337
Name:
7-Butyl-4,6a,7,8,9,10a-hexahydro-6H-10-oxa-4,7-diaza-acephenanthrylene
Mol. Formula:
C17H22N2O
M.W.:
270.38
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
3.27
Polar Surface Area:
28.26
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.93
DETAILS
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ALA332546
Name:
7-Allyl-4,6a,7,8,9,10a-hexahydro-6H-10-oxa-4,7-diaza-acephenanthrylene
Mol. Formula:
C16H18N2O
M.W.:
254.33
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
2.65
Polar Surface Area:
28.26
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.83
DETAILS
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ALA333794
Name:
7-Ethyl-4,6a,7,8,9,10a-hexahydro-6H-10-oxa-4,7-diaza-acephenanthrylene
Mol. Formula:
C15H18N2O
M.W.:
242.32
12 activity values
3 unique targets
Type:
Small molecule
AlogP:
2.49
Polar Surface Area:
28.26
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.83
DETAILS
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ALA13644
Name:
3-Methyl-1,2,3,4,4a,8-hexahydro-7-thia-3,12b-diaza-dibenzo[e,g]azulene
Mol. Formula:
C16H18N2S
M.W.:
270.40
8 activity values
5 unique targets
Type:
Small molecule
AlogP:
3.15
Polar Surface Area:
6.48
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA13645
Name:
3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza-dibenzo[e,g]azulene
Mol. Formula:
C16H18N2S
M.W.:
270.40
19 activity values
6 unique targets
Type:
Small molecule
AlogP:
3.15
Polar Surface Area:
6.48
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE