ALA5275770Name:
6-[(4-nitro-6,7-dihydro-2,1,3-benzoxadiazol-7-yl)sulfanyl]hexan-1-olMol. Formula:
C12H17N3O4SM.W.:
299.35Type:
---AlogP:
2.42Polar Surface Area:
102.29HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
---AlogP:
0.89Polar Surface Area:
120.75HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
UnknownAlogP:
2.75Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.65DETAILS
ALA5090321Name:
2-(4-([1,1'-Biphenyl]-4-ylmethoxy)phenyl)cycloprop-2-en-1-oneMol. Formula:
C22H16O2M.W.:
312.37Type:
UnknownAlogP:
4.84Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS
Type:
UnknownAlogP:
3.17Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS-
Type:
UnknownAlogP:
3.38Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
UnknownAlogP:
2.74Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.56DETAILS -
Type:
UnknownAlogP:
4.75Polar Surface Area:
137.46HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
UnknownAlogP:
3.32Polar Surface Area:
140.70HBA:
10HBD:
1#RO5 Violations:
---#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
UnknownAlogP:
4.12Polar Surface Area:
128.67HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
UnknownAlogP:
4.88Polar Surface Area:
137.46HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
UnknownAlogP:
5.72Polar Surface Area:
93.73HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
UnknownAlogP:
4.75Polar Surface Area:
146.69HBA:
10HBD:
1#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA4782565
Name:
N-Adamantan-1-yl-2-[2,3-dichloro-4-(2-methylene-butyryl)-phenoxy]-acetamideMol. Formula:
C23H27Cl2NO3M.W.:
436.38Type:
UnknownAlogP:
5.61Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
UnknownAlogP:
6.92Polar Surface Area:
84.50HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
UnknownAlogP:
4.75Polar Surface Area:
146.69HBA:
10HBD:
1#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
UnknownAlogP:
2.78Polar Surface Area:
140.70HBA:
10HBD:
1#RO5 Violations:
---#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
UnknownAlogP:
4.76Polar Surface Area:
155.92HBA:
11HBD:
1#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
UnknownAlogP:
2.97Polar Surface Area:
137.90HBA:
10HBD:
---#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
UnknownAlogP:
6.10Polar Surface Area:
89.52HBA:
8HBD:
---#RO5 Violations:
2#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.08DETAILS
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