Type:
UnknownAlogP:
4.82Polar Surface Area:
121.59HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.34DETAILS
Type:
UnknownAlogP:
3.46Polar Surface Area:
98.85HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS
Type:
---AlogP:
3.83Polar Surface Area:
68.04HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.56DETAILS
Type:
UnknownAlogP:
4.74Polar Surface Area:
72.83HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS
Type:
UnknownAlogP:
4.07Polar Surface Area:
76.07HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS-
Type:
---AlogP:
4.15Polar Surface Area:
92.18HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
UnknownAlogP:
3.48Polar Surface Area:
116.20HBA:
8HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
UnknownAlogP:
4.94Polar Surface Area:
72.83HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
---AlogP:
3.98Polar Surface Area:
68.04HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
-0.49Polar Surface Area:
113.76HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
0.54Polar Surface Area:
93.53HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
-0.16Polar Surface Area:
94.83HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA4594374
Name:
DESISOBUTYRYLCICLESONIDECas Number:
161115-59-9Mol. Formula:
C28H38O6M.W.:
470.61Type:
Small moleculeAlogP:
3.50Polar Surface Area:
93.06HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
---AlogP:
4.44Polar Surface Area:
71.95HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
UnknownAlogP:
4.28Polar Surface Area:
101.93HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
UnknownAlogP:
4.90Polar Surface Area:
72.83HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
---AlogP:
3.83Polar Surface Area:
68.04HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
---AlogP:
4.44Polar Surface Area:
71.95HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA5204849
Name:
5-Chloro-N-(3-hydroxybenzyl)-2-hydroxybenzamideMol. Formula:
C13H10ClNO3M.W.:
263.68Type:
---AlogP:
3.00Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
---AlogP:
4.81Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS
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