Compounds

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ALA3092451
Name:
5-(3-phenylpropyl)-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,2,1-ij]quinShow More⌵
Mol. Formula:
C21H21F3N2
M.W.:
358.41
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
5.36
Polar Surface Area:
30.95
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA3092450
Name:
8-methoxy-5-phenethyl-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,2,1-ij]qShow More⌵
Mol. Formula:
C21H20F3NO
M.W.:
359.39
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
5.40
Polar Surface Area:
14.16
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3092449
Name:
5-(3-phenylpropyl)-6-(trifluoromethyl)-2,3-dihydro-[1,4]thiazino[2,3,4-hi]iShow More⌵
Mol. Formula:
C20H18F3NS
M.W.:
361.43
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
5.94
Polar Surface Area:
4.93
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA3092448
Name:
5-phenethyl-6-(trifluoromethyl)-2,3-dihydro-[1,4]oxazino[2,3,4-hi]indole
Mol. Formula:
C19H16F3NO
M.W.:
331.34
6 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.84
Polar Surface Area:
14.16
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2381068
Name:
2-fluorobenzyl 6-phenylhexylcarbamate
Mol. Formula:
C20H24FNO2
M.W.:
329.42
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
4.86
Polar Surface Area:
38.33
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2381067
Name:
2-fluorophenyl 6-phenylhexylcarbamate
Mol. Formula:
C19H22FNO2
M.W.:
315.39
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
4.72
Polar Surface Area:
38.33
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE