ALA4592040Name:
N-(6-chloro-1,3-benzothiazol-2-yl)benzothiophene-3-sulfonamideMol. Formula:
C15H9ClN2O2S3M.W.:
380.90Type:
UnknownAlogP:
4.97Polar Surface Area:
59.06HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
Small moleculeAlogP:
8.71Polar Surface Area:
86.51HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.02DETAILS
ALA4291759Name:
2,2-Dichloro-1-(4'-hydroxy-[1,1'-biphenyl]-4-yl)ethan-1-oneMol. Formula:
C14H10Cl2O2M.W.:
281.14Type:
Small moleculeAlogP:
4.05Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS
Type:
Small moleculeAlogP:
8.32Polar Surface Area:
86.51HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.02DETAILS
Type:
Small moleculeAlogP:
7.54Polar Surface Area:
86.51HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.03DETAILS-
Type:
Small moleculeAlogP:
7.93Polar Surface Area:
86.51HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.03DETAILS -
Type:
Small moleculeAlogP:
5.57Polar Surface Area:
81.15HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
1.75Polar Surface Area:
54.70HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
2.98Polar Surface Area:
28.68HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
1.65Polar Surface Area:
118.87HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
4.77Polar Surface Area:
118.61HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
6.06Polar Surface Area:
63.92HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
4.30Polar Surface Area:
118.53HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
2.00Polar Surface Area:
110.08HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
2.69Polar Surface Area:
99.00HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
-0.78Polar Surface Area:
343.03HBA:
11HBD:
10#RO5 Violations:
3#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
4.50Polar Surface Area:
137.98HBA:
6HBD:
4#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
4.51Polar Surface Area:
127.12HBA:
7HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
5.92Polar Surface Area:
109.30HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
5.84Polar Surface Area:
109.30HBA:
6HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.19DETAILS
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