Type:
UnknownAlogP:
-1.72Polar Surface Area:
207.77HBA:
12HBD:
4#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.09DETAILS
Type:
UnknownAlogP:
-1.89Polar Surface Area:
221.60HBA:
12HBD:
4#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.13DETAILS
Type:
UnknownAlogP:
-1.65Polar Surface Area:
204.53HBA:
11HBD:
4#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.11DETAILS
Type:
UnknownAlogP:
-1.60Polar Surface Area:
204.53HBA:
11HBD:
4#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.11DETAILS
Type:
UnknownAlogP:
5.14Polar Surface Area:
79.79HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.16DETAILS-
Type:
Small moleculeAlogP:
2.31Polar Surface Area:
61.92HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
Small moleculeAlogP:
0.75Polar Surface Area:
84.29HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA2415028
Name:
2-[(Oxiran-2-yl)methylthio]-6-phenyl-4-chloropyrimidine-5-carbonitrileMol. Formula:
C14H10ClN3OSM.W.:
303.77Type:
Small moleculeAlogP:
3.16Polar Surface Area:
62.10HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
1.66Polar Surface Area:
172.82HBA:
13HBD:
2#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA387940
Name:
2-(3-p-nitrophenyloxycarbonyl-3-methyltriazen-1-yl)-6-benzyloxypurineMol. Formula:
C20H16N8O5M.W.:
448.40Type:
Small moleculeAlogP:
3.97Polar Surface Area:
161.09HBA:
10HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.25DETAILS
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