Type:
UnknownAlogP:
2.98Polar Surface Area:
24.92HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.77DETAILS
Type:
UnknownAlogP:
1.10Polar Surface Area:
24.92HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS
ALA4538885Name:
2-(((4-(dimethylamino)pyridin-2-yl)methyl)amino)ethane-1-thiolMol. Formula:
C10H17N3SM.W.:
211.33Type:
UnknownAlogP:
1.17Polar Surface Area:
28.16HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS
Type:
UnknownAlogP:
6.56Polar Surface Area:
110.34HBA:
10HBD:
2#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.09DETAILS
Type:
UnknownAlogP:
6.02Polar Surface Area:
126.47HBA:
12HBD:
2#RO5 Violations:
3#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.08DETAILS-
Type:
UnknownAlogP:
1.88Polar Surface Area:
43.14HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.38DETAILS -
Type:
UnknownAlogP:
5.96Polar Surface Area:
123.23HBA:
11HBD:
2#RO5 Violations:
3#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
4.14Polar Surface Area:
123.57HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
2.04Polar Surface Area:
114.34HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
3.05Polar Surface Area:
88.40HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA3590511
Name:
4-[2-(2-Oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamido]-benzoic AcidMol. Formula:
C16H12N2O4SM.W.:
328.35Type:
Small moleculeAlogP:
2.40Polar Surface Area:
88.40HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS
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