ALA2372410Name:
1-Methyl-4-((E)-styryl)-1,2,3,6-tetrahydro-pyridineMol. Formula:
C31H43N5O7S2M.W.:
661.85Type:
Small moleculeAlogP:
0.73Polar Surface Area:
203.11HBA:
10HBD:
8#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.15DETAILS
ALA538744Name:
3-Fluoro-2-(2-methoxy-phenyl)-allylamine hydrochlorideMol. Formula:
C10H13ClFNOM.W.:
217.67Type:
Small moleculeAlogP:
1.96Polar Surface Area:
35.25HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.77DETAILS
Clorgyline hydrochlorideName:
[3-(2,4-Dichloro-phenoxy)-propyl]-methyl-prop-2-ynyl-amine hydrochlorideMol. Formula:
C13H16Cl3NOM.W.:
308.64Type:
Small moleculeAlogP:
3.33Polar Surface Area:
12.47HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.58DETAILS
ALA554775Name:
3-Fluoro-2-(3-methoxy-phenyl)-allylamine hydrochlorideMol. Formula:
C10H13ClFNOM.W.:
217.67Type:
Small moleculeAlogP:
1.96Polar Surface Area:
35.25HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.77DETAILS
ALA541803Name:
2-(4-Chloro-phenyl)-3-fluoro-allylamine hydrochlorideMol. Formula:
C9H10Cl2FNM.W.:
222.09Type:
Small moleculeAlogP:
2.61Polar Surface Area:
26.02HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.75DETAILS- ALA538992
Name:
3-(1-Aminomethyl-2-fluoro-vinyl)-phenol hydrochlorideMol. Formula:
C9H11ClFNOM.W.:
203.64Type:
Small moleculeAlogP:
1.66Polar Surface Area:
46.25HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.70DETAILS - ALA535873
Name:
2-(3,4-Dimethoxy-phenyl)-3-fluoro-allylamine hydrochlorideMol. Formula:
C11H15ClFNO2M.W.:
247.70Type:
Small moleculeAlogP:
1.97Polar Surface Area:
44.48HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
1.96Polar Surface Area:
26.02HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
1.66Polar Surface Area:
26.02HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
2.23Polar Surface Area:
26.02HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.72DETAILS - ALA544509
Name:
3-Fluoro-2-(3-trifluoromethyl-phenyl)-allylamine hydrochlorideMol. Formula:
C10H10ClF4NM.W.:
255.64Type:
Small moleculeAlogP:
2.97Polar Surface Area:
26.02HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
2.23Polar Surface Area:
26.02HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
3.10Polar Surface Area:
26.02HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.89DETAILS -
Type:
Small moleculeAlogP:
2.26Polar Surface Area:
26.02HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
2.25Polar Surface Area:
26.02HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.72DETAILS - ALA553995
Name:
4-(1-Aminomethyl-2-fluoro-vinyl)-benzene-1,2-diol hydrochlorideMol. Formula:
C9H11ClFNO2M.W.:
219.64Type:
Small moleculeAlogP:
1.37Polar Surface Area:
66.48HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
2.38Polar Surface Area:
26.02HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.80DETAILS - ALA543328
Name:
3-Fluoro-2-(4-methoxy-phenyl)-allylamine hydrochlorideMol. Formula:
C10H13ClFNOM.W.:
217.67Type:
Small moleculeAlogP:
1.96Polar Surface Area:
35.25HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
1.96Polar Surface Area:
26.02HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
2.53Polar Surface Area:
39.16HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.65DETAILS
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