Type:
UnknownAlogP:
4.48Polar Surface Area:
66.40HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS
ALA4758386Name:
3-(4,5-dinitronaphthalen-1-ylamino)benzoic acidMol. Formula:
C17H11N3O6M.W.:
353.29Type:
UnknownAlogP:
4.10Polar Surface Area:
135.61HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
Small moleculeAlogP:
3.03Polar Surface Area:
103.70HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
Small moleculeAlogP:
4.28Polar Surface Area:
81.47HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
Small moleculeAlogP:
3.05Polar Surface Area:
101.70HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS-
Type:
Small moleculeAlogP:
4.06Polar Surface Area:
92.47HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA3103365
Name:
Morpholino(4-(naphthalen-2-yl)piperazin-1-yl)methanoneMol. Formula:
C19H23N3O2M.W.:
325.41Type:
Small moleculeAlogP:
2.41Polar Surface Area:
36.02HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA3103363
Name:
(4-(4-Methoxyphenyl)piperazin-1-yl)(morpholino)methanoneMol. Formula:
C16H23N3O3M.W.:
305.38Type:
Small moleculeAlogP:
1.27Polar Surface Area:
45.25HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
1.57Polar Surface Area:
36.02HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.79DETAILS - ALA3103360
Name:
(4-(3-Chlorophenyl)piperazin-1-yl)(morpholino)methanoneMol. Formula:
C15H20ClN3O2M.W.:
309.80Type:
Small moleculeAlogP:
1.91Polar Surface Area:
36.02HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA3103359
Name:
Morpholino(4-(2-(trifluoromethyl)phenyl)piperazin-1-yl)methanoneMol. Formula:
C16H20F3N3O2M.W.:
343.35Type:
Small moleculeAlogP:
2.28Polar Surface Area:
36.02HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA3103358
Name:
(4-(2-Chlorophenyl)piperazin-1-yl)(morpholino)methanoneMol. Formula:
C15H20ClN3O2M.W.:
309.80Type:
Small moleculeAlogP:
1.91Polar Surface Area:
36.02HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA3103356
Name:
Morpholino(4-(4-nitrophenyl)piperazin-1-yl)methanoneMol. Formula:
C15H20N4O4M.W.:
320.35Type:
Small moleculeAlogP:
1.17Polar Surface Area:
79.16HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA3103355
Name:
(4-(4-(Methylsulfonyl)phenyl)piperazin-1-yl)(morpholino)methanoneMol. Formula:
C16H23N3O4SM.W.:
353.44Type:
Small moleculeAlogP:
0.66Polar Surface Area:
70.16HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA3103345
Name:
(4-(4-Ethynylphenyl)piperazin-1-yl)(morpholino)methanoneMol. Formula:
C17H21N3O2M.W.:
299.37Type:
Small moleculeAlogP:
1.24Polar Surface Area:
36.02HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.73DETAILS - ALA3103344
Name:
Morpholino(4-(quinolin-3-yl)piperazin-1-yl)methanoneMol. Formula:
C18H22N4O2M.W.:
326.40Type:
Small moleculeAlogP:
1.81Polar Surface Area:
48.91HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA3103341
Name:
(4-(4-Chlorophenyl)piperazin-1-yl)(thiomorpholino)methanoneMol. Formula:
C15H20ClN3OSM.W.:
325.87Type:
Small moleculeAlogP:
2.63Polar Surface Area:
26.79HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA3103336
Name:
(4-(4-Chlorobenzoyl)piperazin-1-yl)(morpholino)methanoneMol. Formula:
C16H20ClN3O3M.W.:
337.81Type:
Small moleculeAlogP:
1.55Polar Surface Area:
53.09HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA3103335
Name:
(4-(4-Chlorobenzyl)piperazin-1-yl)(morpholino)methanoneMol. Formula:
C16H22ClN3O2M.W.:
323.82Type:
Small moleculeAlogP:
1.91Polar Surface Area:
36.02HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA3103333
Name:
(4-(6-Chloropyridin-3-yl)piperazin-1-yl)(morpholino)methanoneMol. Formula:
C14H19ClN4O2M.W.:
310.79Type:
Small moleculeAlogP:
1.31Polar Surface Area:
48.91HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.73DETAILS
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