Type:
UnknownAlogP:
1.00Polar Surface Area:
68.11HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS
Type:
UnknownAlogP:
0.23Polar Surface Area:
103.14HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.80DETAILS
ALA4548022Name:
Benzo[d]oxazol-2-ylmethanamineCas Number:
101333-98-6Mol. Formula:
C8H8N2OM.W.:
148.16Type:
UnknownAlogP:
1.29Polar Surface Area:
52.05HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.66DETAILS
Type:
UnknownAlogP:
3.18Polar Surface Area:
97.34HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS
Type:
UnknownAlogP:
2.32Polar Surface Area:
94.23HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS-
Type:
UnknownAlogP:
3.82Polar Surface Area:
92.93HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
UnknownAlogP:
3.21Polar Surface Area:
103.02HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4546058
Name:
2-(Benzo[d]oxazol-2-yl)ethanamineCas Number:
623553-29-7Mol. Formula:
C9H10N2OM.W.:
162.19Type:
UnknownAlogP:
1.33Polar Surface Area:
52.05HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.72DETAILS -
Type:
UnknownAlogP:
2.53Polar Surface Area:
118.81HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
UnknownAlogP:
3.38Polar Surface Area:
88.56HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
UnknownAlogP:
0.82Polar Surface Area:
79.70HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
UnknownAlogP:
1.22Polar Surface Area:
81.34HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.89DETAILS -
Type:
UnknownAlogP:
2.51Polar Surface Area:
107.19HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
2.82Polar Surface Area:
84.14HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4548981
Name:
(Rac)-2-(benzo[d]thiazol-2-yl)propan-1-amineCas Number:
1223501-17-4Mol. Formula:
C10H12N2SM.W.:
192.29Type:
UnknownAlogP:
2.36Polar Surface Area:
38.91HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.79DETAILS -
Type:
UnknownAlogP:
4.67Polar Surface Area:
68.01HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA4525440
Name:
2-(5-Chlorobenzo[d]oxazol-2-yl)ethanamineCas Number:
871688-91-4Mol. Formula:
C9H9ClN2OM.W.:
196.64Type:
UnknownAlogP:
1.98Polar Surface Area:
52.05HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.80DETAILS - ALA4525371
Name:
2-(5-Fluorobenzo[d]thiazol-2-yl)ethanamineCas Number:
1096279-13-8Mol. Formula:
C9H9FN2SM.W.:
196.25Type:
UnknownAlogP:
1.94Polar Surface Area:
38.91HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.80DETAILS -
Type:
UnknownAlogP:
2.70Polar Surface Area:
63.93HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA4524620
Name:
(5-Chloro-1H-benzo[d]imidazol-2-yl)methanamineCas Number:
273399-95-4Mol. Formula:
C8H8ClN3M.W.:
181.63Type:
UnknownAlogP:
1.67Polar Surface Area:
54.70HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.70DETAILS
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