Type:
---AlogP:
3.13Polar Surface Area:
217.12HBA:
10HBD:
8#RO5 Violations:
2#Rotatable Bonds:
29Passes Ro3:
NQED Weighted:
0.04DETAILS
Type:
---AlogP:
7.23Polar Surface Area:
119.05HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
28Passes Ro3:
NQED Weighted:
0.08DETAILS
Type:
---AlogP:
-0.08Polar Surface Area:
72.35HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
---AlogP:
0.55Polar Surface Area:
130.20HBA:
9HBD:
4#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.16DETAILS
Type:
UnknownAlogP:
7.97Polar Surface Area:
24.06HBA:
2HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.17DETAILS-
Type:
Small moleculeAlogP:
1.72Polar Surface Area:
85.38HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA4092991
Name:
(5-Nitro-furan-2-yl)-piperidin-1-yl-methanoneCas Number:
951-91-7Mol. Formula:
C10H12N2O4M.W.:
224.22Type:
Small moleculeAlogP:
1.81Polar Surface Area:
76.59HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
1.33Polar Surface Area:
85.38HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
4.03Polar Surface Area:
76.59HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
1.65Polar Surface Area:
88.62HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
1.42Polar Surface Area:
76.59HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA4061646
Name:
5-Nitro-furan-2-carboxylic acid tert-butylamideMol. Formula:
C9H12N2O4M.W.:
212.21Type:
Small moleculeAlogP:
1.72Polar Surface Area:
85.38HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
0.48Polar Surface Area:
88.62HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
0.87Polar Surface Area:
88.62HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA4064356
Name:
5-Nitro-furan-2-carboxylic acid butylamideCas Number:
14121-89-2Mol. Formula:
C9H12N2O4M.W.:
212.21Type:
Small moleculeAlogP:
1.72Polar Surface Area:
85.38HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
1.33Polar Surface Area:
85.38HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA4079787
Name:
5-Nitro-furan-2-carboxylic acid-dipropyl-amideMol. Formula:
C11H16N2O4M.W.:
240.26Type:
Small moleculeAlogP:
2.45Polar Surface Area:
76.59HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
UnknownAlogP:
8.25Polar Surface Area:
24.06HBA:
2HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
---AlogP:
3.35Polar Surface Area:
131.32HBA:
9HBD:
3#RO5 Violations:
1#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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