ALA5090386Name:
(R)-2-amino-3-(5-(4-chloro-2-nitrophenyl)furan-2-carboxamido)propanoic acidMol. Formula:
C14H12ClN3O6M.W.:
353.72Type:
UnknownAlogP:
1.65Polar Surface Area:
148.70HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS
Type:
Small moleculeAlogP:
5.51Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
Small moleculeAlogP:
5.75Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
Small moleculeAlogP:
6.29Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS
Type:
Small moleculeAlogP:
6.53Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.28DETAILS-
Type:
Small moleculeAlogP:
5.32Polar Surface Area:
80.67HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
4.54Polar Surface Area:
80.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
5.86Polar Surface Area:
80.67HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
5.47Polar Surface Area:
80.67HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
6.10Polar Surface Area:
80.67HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
4.69Polar Surface Area:
80.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
5.90Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
4.73Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
6.49Polar Surface Area:
80.67HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
5.12Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA4225324
Name:
20-Oxo-pregn-5-en-3beta-yl Sulfate Pyridinium SaltMol. Formula:
C26H37NO5SM.W.:
475.65Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
5.08Polar Surface Area:
80.67HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
6.25Polar Surface Area:
80.67HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
6.92Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
5.36Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.40DETAILS
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