Type:
---AlogP:
3.92Polar Surface Area:
78.65HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS
Type:
---AlogP:
4.00Polar Surface Area:
82.31HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS
Type:
---AlogP:
5.28Polar Surface Area:
112.35HBA:
7HBD:
2#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.13DETAILS
ALA5289201Name:
1-(3,6-dibromo-2-nitro-9H-carbazol-9-yl)-3-(piperazin-1-yl)propan-2-olMol. Formula:
C19H20Br2N4O3M.W.:
512.20Type:
---AlogP:
3.49Polar Surface Area:
83.57HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS
Type:
---AlogP:
5.28Polar Surface Area:
112.35HBA:
7HBD:
2#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.13DETAILS-
Type:
UnknownAlogP:
4.87Polar Surface Area:
63.37HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
UnknownAlogP:
4.40Polar Surface Area:
79.18HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA3417410
Name:
4-Benzylidene-3-methyl-1-(4-phenylthiazol-2-yl)-1H-pyrazol-5(4H)-oneMol. Formula:
C20H15N3OSM.W.:
345.43Type:
Small moleculeAlogP:
4.62Polar Surface Area:
45.56HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
5.47Polar Surface Area:
80.53HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
5.01Polar Surface Area:
69.53HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
5.77Polar Surface Area:
86.52HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
4.23Polar Surface Area:
112.54HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
4.71Polar Surface Area:
86.52HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
4.04Polar Surface Area:
99.41HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
4.65Polar Surface Area:
86.52HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
4.71Polar Surface Area:
89.76HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
4.00Polar Surface Area:
88.93HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
4.36Polar Surface Area:
71.86HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
3.34Polar Surface Area:
74.24HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
5.77Polar Surface Area:
45.56HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.41DETAILS
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