Type:
---AlogP:
-2.76Polar Surface Area:
321.08HBA:
13HBD:
12#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.10DETAILS
Type:
---AlogP:
2.77Polar Surface Area:
53.09HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.80DETAILS
Type:
UnknownAlogP:
2.42Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.75DETAILS
Type:
UnknownAlogP:
2.56Polar Surface Area:
59.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.85DETAILS
Type:
UnknownAlogP:
1.75Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.74DETAILS-
Type:
UnknownAlogP:
2.42Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.75DETAILS -
Type:
UnknownAlogP:
3.45Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
UnknownAlogP:
3.49Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
UnknownAlogP:
1.63Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
4.58Polar Surface Area:
160.82HBA:
9HBD:
6#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
7.66Polar Surface Area:
197.24HBA:
15HBD:
---#RO5 Violations:
3#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.04DETAILS -
Type:
Small moleculeAlogP:
8.11Polar Surface Area:
170.94HBA:
13HBD:
---#RO5 Violations:
3#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.04DETAILS -
Type:
Small moleculeAlogP:
7.74Polar Surface Area:
180.17HBA:
14HBD:
---#RO5 Violations:
3#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.04DETAILS -
Type:
Small moleculeAlogP:
7.74Polar Surface Area:
180.17HBA:
14HBD:
---#RO5 Violations:
3#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.04DETAILS -
Type:
Small moleculeAlogP:
4.88Polar Surface Area:
149.82HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
4.89Polar Surface Area:
160.82HBA:
9HBD:
6#RO5 Violations:
2#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
Small moleculeAlogP:
4.97Polar Surface Area:
160.82HBA:
9HBD:
6#RO5 Violations:
2#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
Small moleculeAlogP:
5.57Polar Surface Area:
111.13HBA:
6HBD:
4#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.13DETAILS - ALA503613
Name:
(Z)-3-(Chloromethylene)-2,3-dihydro-1-benzoxepine-7-carbaldehydeMol. Formula:
C12H9ClO2M.W.:
220.66Type:
Small moleculeAlogP:
3.03Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA450490
Name:
1-[(Z)-3-Chloromethylene-2,3-dihydro-1-benzoxepin-7-yl]ethanoneMol. Formula:
C13H11ClO2M.W.:
234.68Type:
Small moleculeAlogP:
3.42Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.70DETAILS
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