Type:
Small moleculeAlogP:
1.79Polar Surface Area:
133.52HBA:
8HBD:
4#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.40DETAILS
ALA2289058Name:
N-acetylchitopentaoseCas Number:
16334-31-9Mol. Formula:
C40H67N5O26M.W.:
1033.99Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
-12.09Polar Surface Area:
455.93HBA:
26HBD:
17#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.08DETAILS
Type:
Small moleculeAlogP:
-1.49Polar Surface Area:
295.81HBA:
12HBD:
10#RO5 Violations:
3#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.05DETAILS
Type:
Small moleculeAlogP:
2.63Polar Surface Area:
53.09HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.82DETAILS-
Type:
Small moleculeAlogP:
2.81Polar Surface Area:
53.09HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.85DETAILS - ALA2286176
Name:
2-(5,7-difluoro-1H-indol-3-yl)acetic acidCas Number:
215363-30-7Mol. Formula:
C10H7F2NO2M.W.:
211.17Type:
Small moleculeAlogP:
2.07Polar Surface Area:
53.09HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.80DETAILS - ALA2286175
Name:
2-(1H-indol-3-yl)-2-methylpropanoic acidCas Number:
2770-92-5Mol. Formula:
C12H13NO2M.W.:
203.24Type:
Small moleculeAlogP:
2.53Polar Surface Area:
53.09HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
3.84Polar Surface Area:
53.09HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
Small moleculeAlogP:
3.26Polar Surface Area:
38.33HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
2.87Polar Surface Area:
38.33HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
2.87Polar Surface Area:
38.33HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
2.48Polar Surface Area:
38.33HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
2.09Polar Surface Area:
38.33HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
4.18Polar Surface Area:
38.33HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
3.67Polar Surface Area:
47.56HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA2271158
Name:
2,4-dichlorophenyl phenylthiomethylcarbamateMol. Formula:
C14H11Cl2NO2SM.W.:
328.22Type:
Small moleculeAlogP:
4.83Polar Surface Area:
38.33HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
4.10Polar Surface Area:
38.33HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
3.71Polar Surface Area:
38.33HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
3.66Polar Surface Area:
38.33HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS
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