Type:
UnknownAlogP:
5.94Polar Surface Area:
50.49HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILS
Type:
---AlogP:
-0.20Polar Surface Area:
146.55HBA:
10HBD:
2#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.53DETAILS
Type:
Small moleculeAlogP:
2.59Polar Surface Area:
100.08HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS
Type:
Small moleculeAlogP:
3.42Polar Surface Area:
92.26HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.43DETAILS
Type:
Small moleculeAlogP:
4.20Polar Surface Area:
100.08HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.32DETAILS-
Type:
Small moleculeAlogP:
3.79Polar Surface Area:
73.80HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
4.15Polar Surface Area:
100.08HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA4088758
Name:
methyl 2-(2-aminobenzamido)propanoateCas Number:
10167-38-1Mol. Formula:
C11H14N2O3M.W.:
222.24Type:
Small moleculeAlogP:
0.56Polar Surface Area:
81.42HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
5.01Polar Surface Area:
82.92HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
2.86Polar Surface Area:
110.72HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
4.42Polar Surface Area:
110.72HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
4.62Polar Surface Area:
82.92HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
0.55Polar Surface Area:
110.24HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.19DETAILS - ALA4083335
Name:
2-Amino-N-(1-hydrazinyl-1-oxopropan-2-yl)benzamideMol. Formula:
C10H14N4O2M.W.:
222.25Type:
Small moleculeAlogP:
-0.62Polar Surface Area:
110.24HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
0.60Polar Surface Area:
110.24HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
-1.01Polar Surface Area:
110.24HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA4078414
Name:
methyl 2-(2-aminobenzamido)-3-phenylpropanoateMol. Formula:
C17H18N2O3M.W.:
298.34Type:
Small moleculeAlogP:
1.78Polar Surface Area:
81.42HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
2.98Polar Surface Area:
100.08HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
3.37Polar Surface Area:
100.08HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.47DETAILS
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