Type:
Small moleculeAlogP:
1.83Polar Surface Area:
69.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.35DETAILS
Type:
Small moleculeAlogP:
1.33Polar Surface Area:
73.11HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.42DETAILS
Type:
Small moleculeAlogP:
1.05Polar Surface Area:
69.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.39DETAILS
Type:
Small moleculeAlogP:
3.40Polar Surface Area:
69.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.31DETAILS
Type:
Small moleculeAlogP:
0.41Polar Surface Area:
89.46HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.32DETAILS-
Type:
Small moleculeAlogP:
1.05Polar Surface Area:
69.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA2373076
Name:
2-(2-Amino-propionylamino)-3-chloro-acrylic acidMol. Formula:
C6H9ClN2O3M.W.:
192.60Type:
Small moleculeAlogP:
-0.39Polar Surface Area:
92.42HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
2.70Polar Surface Area:
66.40HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
2.70Polar Surface Area:
66.40HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
1.79Polar Surface Area:
135.96HBA:
4HBD:
5#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
2.18Polar Surface Area:
135.96HBA:
4HBD:
5#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
1.61Polar Surface Area:
132.80HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
1.69Polar Surface Area:
115.73HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA298600
Name:
2-(2-Cyano-acetylamino)-acrylic acidCas Number:
133626-26-3Mol. Formula:
C6H6N2O3M.W.:
154.12Type:
Small moleculeAlogP:
-0.39Polar Surface Area:
90.19HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
0.10Polar Surface Area:
66.40HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
0.50Polar Surface Area:
78.16HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
2.11Polar Surface Area:
66.40HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA11953
Name:
2-(4-Thiophen-2-yl-butyrylamino)-but-2-enoic acidMol. Formula:
C12H15NO3SM.W.:
253.32Type:
Small moleculeAlogP:
2.18Polar Surface Area:
66.40HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
1.80Polar Surface Area:
66.40HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.78DETAILS
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