ALA5272455Name:
3-methyl-7-(prop-2-en-1-yloxy)-4H-furo[3,2-c]chromen-4-oneMol. Formula:
C15H12O4M.W.:
256.26Type:
---AlogP:
3.41Polar Surface Area:
52.58HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS
Type:
---AlogP:
4.48Polar Surface Area:
57.29HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.14DETAILS
ALA5279857Name:
7-ethoxy-2,3-dimethyl-4H-furo[3,2-c]chromen-4-oneMol. Formula:
C15H14O4M.W.:
258.27Type:
---AlogP:
3.55Polar Surface Area:
52.58HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS
ALA5287095Name:
2,3-dimethyl-7-(propan-2-yloxy)-4H-furo[3,2-c]chromen-4-oneMol. Formula:
C16H16O4M.W.:
272.30Type:
---AlogP:
3.94Polar Surface Area:
52.58HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS
ALA5285371Name:
2,3-dimethyl-7-(prop-2-en-1-yloxy)-4H-furo[3,2-c]chromen-4-oneMol. Formula:
C16H14O4M.W.:
270.28Type:
---AlogP:
3.72Polar Surface Area:
52.58HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS- ALA4879383
Name:
2-(2-(butylthio)-6-phenylpyrimidin-4-yl)-1H-benzo[d]imidazoleMol. Formula:
C21H20N4SM.W.:
360.49Type:
UnknownAlogP:
5.58Polar Surface Area:
54.46HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA4878921
Name:
2-(2-(butylthio)-6-(4-chlorophenyl)pyrimidin-4-yl)-1H-benzo[d]imidazoleMol. Formula:
C21H19ClN4SM.W.:
394.93Type:
UnknownAlogP:
6.23Polar Surface Area:
54.46HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA4875976
Name:
2-(2-(butylthio)-6-(4-fluorophenyl)pyrimidin-4-yl)-1H-benzo[d]imidazoleMol. Formula:
C21H19FN4SM.W.:
378.48Type:
UnknownAlogP:
5.72Polar Surface Area:
54.46HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA4874929
Name:
2-(2-(methylthio)-6-phenylpyrimidin-4-yl)-1H-benzo[d]imidazoleMol. Formula:
C18H14N4SM.W.:
318.41Type:
UnknownAlogP:
4.41Polar Surface Area:
54.46HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA4868207
Name:
2-(2-(benzylthio)-6-(4-methoxyphenyl)pyrimidin-4-yl)-1H-benzo[d]imidazoleMol. Formula:
C25H20N4OSM.W.:
424.53Type:
UnknownAlogP:
5.99Polar Surface Area:
63.69HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA4867378
Name:
2-(6-(4-chlorophenyl)-2-(methylthio)pyrimidin-4-yl)-1H-benzo[d]imidazoleMol. Formula:
C18H13ClN4SM.W.:
352.85Type:
UnknownAlogP:
5.06Polar Surface Area:
54.46HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA4866470
Name:
2-(2-(benzylthio)-6-(4-chlorophenyl)pyrimidin-4-yl)-1H-benzo[d]imidazoleMol. Formula:
C24H17ClN4SM.W.:
428.95Type:
UnknownAlogP:
6.63Polar Surface Area:
54.46HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA4862804
Name:
2-(6-(4-methoxyphenyl)-2-(methylthio)pyrimidin-4-yl)-1H-benzo[d]imidazoleMol. Formula:
C19H16N4OSM.W.:
348.43Type:
UnknownAlogP:
4.42Polar Surface Area:
63.69HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA4857121
Name:
2-(2-(benzylthio)-6-(4-fluorophenyl)pyrimidin-4-yl)-1H-benzo[d]imidazoleMol. Formula:
C24H17FN4SM.W.:
412.49Type:
UnknownAlogP:
6.12Polar Surface Area:
54.46HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA4855995
Name:
2-(2-(butylthio)-6-(4-methoxyphenyl)pyrimidin-4-yl)-1H-benzo[d]imidazoleMol. Formula:
C22H22N4OSM.W.:
390.51Type:
UnknownAlogP:
5.59Polar Surface Area:
63.69HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA4850701
Name:
2-(2-(benzylthio)-6-phenylpyrimidin-4-yl)-1H-benzo[d]imidazoleMol. Formula:
C24H18N4SM.W.:
394.50Type:
UnknownAlogP:
5.98Polar Surface Area:
54.46HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA4847789
Name:
2-(6-(4-fluorophenyl)-2-(methylthio)pyrimidin-4-yl)-1H-benzo[d]imidazoleMol. Formula:
C18H13FN4SM.W.:
336.40Type:
UnknownAlogP:
4.55Polar Surface Area:
54.46HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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