Type:
UnknownAlogP:
5.73Polar Surface Area:
69.16HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
UnknownAlogP:
1.12Polar Surface Area:
42.23HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.64DETAILS
Type:
UnknownAlogP:
3.73Polar Surface Area:
94.09HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS
Type:
UnknownAlogP:
2.75Polar Surface Area:
72.80HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS
Type:
UnknownAlogP:
-0.06Polar Surface Area:
63.13HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.41DETAILS- ALA4785369
Name:
4-((1H-1,2,4-triazol-3-ylimino)methyl)benzoic acidMol. Formula:
C10H8N4O2M.W.:
216.20Type:
UnknownAlogP:
1.25Polar Surface Area:
91.23HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
UnknownAlogP:
3.55Polar Surface Area:
76.53HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
UnknownAlogP:
1.33Polar Surface Area:
56.51HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
UnknownAlogP:
5.06Polar Surface Area:
78.39HBA:
8HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
UnknownAlogP:
1.01Polar Surface Area:
91.15HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
UnknownAlogP:
0.62Polar Surface Area:
60.77HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
UnknownAlogP:
4.34Polar Surface Area:
96.53HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
UnknownAlogP:
1.90Polar Surface Area:
62.05HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
UnknownAlogP:
1.25Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.66DETAILS -
Type:
UnknownAlogP:
5.56Polar Surface Area:
76.50HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4096162
Name:
Cisapride monohydrateCas Number:
260779-88-2Mol. Formula:
C23H31ClFN3O5M.W.:
483.97Type:
Small moleculeAlogP:
3.36Polar Surface Area:
86.05HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
3.18Polar Surface Area:
79.30HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
3.46Polar Surface Area:
36.67HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
3.48Polar Surface Area:
45.12HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
Small moleculeAlogP:
3.18Polar Surface Area:
88.53HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.54DETAILS
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