Type:
UnknownAlogP:
3.72Polar Surface Area:
186.63HBA:
13HBD:
4#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.18DETAILS
Type:
UnknownAlogP:
5.38Polar Surface Area:
217.11HBA:
14HBD:
4#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.10DETAILS
Type:
UnknownAlogP:
7.34Polar Surface Area:
179.81HBA:
13HBD:
3#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.07DETAILS
Type:
UnknownAlogP:
6.19Polar Surface Area:
179.81HBA:
13HBD:
3#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.10DETAILS
Type:
UnknownAlogP:
4.54Polar Surface Area:
170.58HBA:
12HBD:
3#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.20DETAILS-
Type:
UnknownAlogP:
2.46Polar Surface Area:
167.67HBA:
11HBD:
5#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
UnknownAlogP:
6.04Polar Surface Area:
191.95HBA:
15HBD:
1#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
UnknownAlogP:
4.73Polar Surface Area:
173.74HBA:
12HBD:
4#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
UnknownAlogP:
5.48Polar Surface Area:
173.74HBA:
12HBD:
4#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
UnknownAlogP:
6.10Polar Surface Area:
222.95HBA:
15HBD:
3#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
UnknownAlogP:
0.60Polar Surface Area:
161.60HBA:
10HBD:
6#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
UnknownAlogP:
4.54Polar Surface Area:
170.58HBA:
12HBD:
3#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
UnknownAlogP:
4.41Polar Surface Area:
173.74HBA:
12HBD:
4#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
UnknownAlogP:
5.84Polar Surface Area:
179.81HBA:
13HBD:
3#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
UnknownAlogP:
6.59Polar Surface Area:
179.81HBA:
13HBD:
3#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
UnknownAlogP:
4.90Polar Surface Area:
179.81HBA:
13HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
UnknownAlogP:
4.24Polar Surface Area:
216.88HBA:
14HBD:
4#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.10DETAILS - ALA4291190
Name:
9-(2-aminoethyl)benzo[f][1,2,3,4,5]pentathiepine-6,7-diolMol. Formula:
C8H9NO2S5M.W.:
311.50Type:
Small moleculeAlogP:
3.66Polar Surface Area:
66.48HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA4284802
Name:
2-(6,7-dimethoxy-5-(methylthio)benzo[d][1,2,3]trithiol-4-yl)ethanamineMol. Formula:
C11H15NO2S4M.W.:
321.51Type:
Small moleculeAlogP:
3.69Polar Surface Area:
44.48HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
4.98Polar Surface Area:
44.48HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS
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