Type:
Small moleculeAlogP:
2.30Polar Surface Area:
234.37HBA:
9HBD:
6#RO5 Violations:
2#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.11DETAILS
Type:
Small moleculeAlogP:
1.24Polar Surface Area:
254.60HBA:
10HBD:
7#RO5 Violations:
2#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.11DETAILS
Type:
Small moleculeAlogP:
1.69Polar Surface Area:
247.26HBA:
10HBD:
6#RO5 Violations:
2#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.11DETAILS
Type:
Small moleculeAlogP:
3.12Polar Surface Area:
247.26HBA:
10HBD:
6#RO5 Violations:
2#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.08DETAILS
Type:
Small moleculeAlogP:
1.69Polar Surface Area:
247.26HBA:
10HBD:
6#RO5 Violations:
2#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.11DETAILS-
Type:
Small moleculeAlogP:
1.49Polar Surface Area:
212.37HBA:
11HBD:
4#RO5 Violations:
2#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
ProteinAlogP:
3.10Polar Surface Area:
160.13HBA:
7HBD:
4#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
2.88Polar Surface Area:
48.30HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
4.10Polar Surface Area:
39.07HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
4.61Polar Surface Area:
39.07HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
3.79Polar Surface Area:
39.07HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
3.43Polar Surface Area:
56.14HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
3.01Polar Surface Area:
39.07HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA3360057
Name:
2-(5-Phenylpentanoyl)benzo[d]isothiazol-3(2H)-oneMol. Formula:
C18H17NO2SM.W.:
311.41Type:
Small moleculeAlogP:
4.12Polar Surface Area:
39.07HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
3.73Polar Surface Area:
48.30HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
4.03Polar Surface Area:
39.07HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA3360054
Name:
2-(4-Phenylbutanoyl)benzo[d]isothiazol-3(2H)-oneMol. Formula:
C17H15NO2SM.W.:
297.38Type:
Small moleculeAlogP:
3.73Polar Surface Area:
39.07HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
3.99Polar Surface Area:
39.07HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
3.99Polar Surface Area:
39.07HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
3.48Polar Surface Area:
39.07HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS
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