ALA5207685Name:
Ethyl (2E,5E)-6-(1-(2-chlorobenzyl)-1H-pyrrol-2-yl)-4-oxohexa-2,5-dienoateMol. Formula:
C19H18ClNO3M.W.:
343.81Type:
---AlogP:
3.89Polar Surface Area:
48.30HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.57DETAILS
Type:
---AlogP:
2.12Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.57DETAILS
ALA5199902Name:
2,2'-((6-chloro-1,3,5-triazine-2,4-diyl)bis(azanediyl))dibenzenesulfonateMol. Formula:
C15H12ClN5O6S2M.W.:
457.88Type:
---AlogP:
2.51Polar Surface Area:
171.47HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS
Type:
---AlogP:
2.86Polar Surface Area:
102.29HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS-
Type:
---AlogP:
2.62Polar Surface Area:
114.81HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
---AlogP:
3.93Polar Surface Area:
103.81HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA5178418
Name:
3,3'-((6-chloro-1,3,5-triazine-2,4-diyl)bis(azanediyl))dibenzenesulfonateMol. Formula:
C15H12ClN5O6S2M.W.:
457.88Type:
---AlogP:
2.51Polar Surface Area:
171.47HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
UnknownAlogP:
1.97Polar Surface Area:
95.06HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
UnknownAlogP:
2.89Polar Surface Area:
55.73HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA4649334
Name:
1-(4-Bromophenyl)-5-(2,4-dimethoxyphenyl)-1H-imidazoleMol. Formula:
C17H15BrN2O2M.W.:
359.22Type:
UnknownAlogP:
4.32Polar Surface Area:
36.28HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
UnknownAlogP:
5.92Polar Surface Area:
192.36HBA:
12HBD:
6#RO5 Violations:
4#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
UnknownAlogP:
2.72Polar Surface Area:
224.26HBA:
12HBD:
6#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.06DETAILS - ALA4648419
Name:
5-(Benzo[d][1,3]dioxol-5-yl)-1-(4-bromophenyl)-1H-imidazoleMol. Formula:
C16H11BrN2O2M.W.:
343.18Type:
UnknownAlogP:
4.03Polar Surface Area:
36.28HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
UnknownAlogP:
3.62Polar Surface Area:
36.28HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
UnknownAlogP:
2.25Polar Surface Area:
69.17HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
UnknownAlogP:
3.74Polar Surface Area:
17.82HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA4646892
Name:
1-Cyclopropyl-5-(2,4-dimethoxyphenyl)-1H-imidazoleMol. Formula:
C14H16N2O2M.W.:
244.29Type:
UnknownAlogP:
2.90Polar Surface Area:
36.28HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA4646715
Name:
5-(Benzo[d][1,3]dioxol-5-yl)-1-benzyl-1H-imidazoleMol. Formula:
C17H14N2O2M.W.:
278.31Type:
UnknownAlogP:
3.33Polar Surface Area:
36.28HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
UnknownAlogP:
3.49Polar Surface Area:
17.82HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS
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