Type:
UnknownAlogP:
3.16Polar Surface Area:
168.45HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.13DETAILS
Type:
UnknownAlogP:
3.00Polar Surface Area:
168.45HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.13DETAILS
Type:
UnknownAlogP:
2.89Polar Surface Area:
168.45HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.14DETAILS
Type:
UnknownAlogP:
3.54Polar Surface Area:
168.45HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.10DETAILS
Type:
UnknownAlogP:
2.23Polar Surface Area:
168.45HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.15DETAILS-
Type:
UnknownAlogP:
2.98Polar Surface Area:
159.22HBA:
11HBD:
2#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
UnknownAlogP:
2.90Polar Surface Area:
91.29HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
UnknownAlogP:
3.01Polar Surface Area:
177.68HBA:
13HBD:
2#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.10DETAILS - 3-(1H-1，2，4-Triazol-1-yl)propanoic acid
Name:
3-(1H-1,2,4-triazol-1-yl)propanoic acidCas Number:
76686-84-5Mol. Formula:
C5H7N3O2M.W.:
141.13Type:
Small moleculeAlogP:
-0.25Polar Surface Area:
68.01HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
7.87Polar Surface Area:
101.93HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
7.94Polar Surface Area:
128.23HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
6.30Polar Surface Area:
128.23HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
6.30Polar Surface Area:
128.23HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
5.91Polar Surface Area:
128.23HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
6.22Polar Surface Area:
110.02HBA:
5HBD:
5#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
4.59Polar Surface Area:
110.02HBA:
5HBD:
5#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
4.59Polar Surface Area:
110.02HBA:
5HBD:
5#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
4.20Polar Surface Area:
110.02HBA:
5HBD:
5#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
7.36Polar Surface Area:
122.16HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
5.73Polar Surface Area:
122.16HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.19DETAILS
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