Type:
---AlogP:
3.21Polar Surface Area:
57.50HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
---AlogP:
3.51Polar Surface Area:
61.68HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS
ALA4548018Name:
6-Hydroxy-2-phenethylbenzo[d]isothiazol-3(2H)-oneMol. Formula:
C15H13NO2SM.W.:
271.34Type:
UnknownAlogP:
3.01Polar Surface Area:
42.23HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
UnknownAlogP:
5.31Polar Surface Area:
73.56HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS
Type:
UnknownAlogP:
4.46Polar Surface Area:
22.00HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.55DETAILS- ALA4558017
Name:
5-Hydroxy-2-phenethylbenzo[d]isothiazol-3(2H)-oneMol. Formula:
C15H13NO2SM.W.:
271.34Type:
UnknownAlogP:
3.01Polar Surface Area:
42.23HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
UnknownAlogP:
4.47Polar Surface Area:
34.03HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
UnknownAlogP:
3.40Polar Surface Area:
68.06HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA4530292
Name:
6-Methoxy-2-phenethylbenzo[d]isothiazol-3(2H)-oneMol. Formula:
C16H15NO2SM.W.:
285.37Type:
UnknownAlogP:
3.31Polar Surface Area:
31.23HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA4545305
Name:
7-Methyl-2-phenethylbenzo[d]isothiazol-3(2H)-oneMol. Formula:
C16H15NOSM.W.:
269.37Type:
UnknownAlogP:
3.61Polar Surface Area:
22.00HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA4544505
Name:
6-Nitro-2-phenethylbenzo[d]isothiazol-3(2H)-oneMol. Formula:
C15H12N2O3SM.W.:
300.34Type:
UnknownAlogP:
3.21Polar Surface Area:
65.14HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
UnknownAlogP:
3.26Polar Surface Area:
65.54HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
UnknownAlogP:
3.97Polar Surface Area:
65.54HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
UnknownAlogP:
3.77Polar Surface Area:
65.54HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
UnknownAlogP:
3.97Polar Surface Area:
65.54HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
UnknownAlogP:
2.67Polar Surface Area:
65.54HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
UnknownAlogP:
4.73Polar Surface Area:
43.86HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
UnknownAlogP:
3.77Polar Surface Area:
65.54HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
UnknownAlogP:
4.60Polar Surface Area:
43.86HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
UnknownAlogP:
3.16Polar Surface Area:
70.47HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS
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