Type:
Small moleculeAlogP:
3.09Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS
ALA2252207Name:
(Z)-phenethyl 3-phenylacrylateCas Number:
107584-56-5Mol. Formula:
C17H16O2M.W.:
252.31Type:
Small moleculeAlogP:
3.49Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS
Type:
Small moleculeAlogP:
2.65Polar Surface Area:
26.30HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS
Type:
Small moleculeAlogP:
2.58Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS
Type:
Small moleculeAlogP:
2.36Polar Surface Area:
30.21HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.66DETAILS-
Type:
Small moleculeAlogP:
1.53Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
2.55Polar Surface Area:
30.21HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
3.94Polar Surface Area:
30.21HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
2.76Polar Surface Area:
56.51HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
2.40Polar Surface Area:
47.28HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
2.19Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.84DETAILS -
Type:
Small moleculeAlogP:
2.99Polar Surface Area:
30.21HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
3.22Polar Surface Area:
30.21HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
4.59Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA448887
Name:
1',1'-dibromodihydroartemidinCas Number:
653597-75-2Mol. Formula:
C13H12Br2O2M.W.:
360.05Type:
Small moleculeAlogP:
4.54Polar Surface Area:
30.21HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA464080
Name:
1'-bromodihydroartemidinCas Number:
72917-32-9Mol. Formula:
C13H13BrO2M.W.:
281.15Type:
Small moleculeAlogP:
4.03Polar Surface Area:
30.21HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
3.21Polar Surface Area:
58.92HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.89DETAILS -
Type:
Small moleculeAlogP:
2.90Polar Surface Area:
58.92HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
Small moleculeAlogP:
2.90Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
3.58Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS
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