ALA2286758Name:
1-palmitoyl-2-(3-trans)-hexadecenoyl-sn-glycero-3-phosphoglycerolMol. Formula:
C38H75O10PM.W.:
722.98Type:
Small moleculeAlogP:
9.89Polar Surface Area:
148.82HBA:
9HBD:
3#RO5 Violations:
2#Rotatable Bonds:
38Passes Ro3:
NQED Weighted:
0.03DETAILS
ALA2286757Name:
1-palmitoyl-2-linoleoyl-3-glycerophosphocholineMol. Formula:
C40H76NO8PM.W.:
730.02Type:
Small moleculeAlogP:
10.16Polar Surface Area:
111.19HBA:
8HBD:
---#RO5 Violations:
2#Rotatable Bonds:
36Passes Ro3:
NQED Weighted:
0.02DETAILS
ALA2272695Name:
4-[(6-Chloropyridin-3-yl)methyl]-3-oxopiperazin-2-ylidenecyanamideMol. Formula:
C11H10ClN5OM.W.:
263.69Type:
Small moleculeAlogP:
0.55Polar Surface Area:
81.38HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS
ALA2272694Name:
1-[(6-Chloropyridin-3-yl)methyl]piperazine-2,3-dione 3-O-MethyloximeMol. Formula:
C11H13ClN4O2M.W.:
268.70Type:
Small moleculeAlogP:
0.63Polar Surface Area:
66.82HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS
ALA2272693Name:
1-[(6-Chloropyridin-3-yl)methyl]piperazine-2,3-dione 3-Oxime HydrochlorideMol. Formula:
C10H12Cl2N4O2M.W.:
291.14Type:
Small moleculeAlogP:
0.45Polar Surface Area:
77.82HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.46DETAILS- ALA2272692
Name:
1-[(6-Chloropyridin-3-yl)methyl]piperazine-2,3-dione 3-ThiosemicarbazoneMol. Formula:
C11H13ClN6OSM.W.:
312.79Type:
Small moleculeAlogP:
-0.19Polar Surface Area:
95.64HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
0.91Polar Surface Area:
91.73HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA2272689
Name:
1-[(6-Chloropyridin-3-yl)methyl]piperazine-2,3-dioneMol. Formula:
C10H10ClN3O2M.W.:
239.66Type:
Small moleculeAlogP:
0.19Polar Surface Area:
62.30HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
1.13Polar Surface Area:
72.59HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
0.89Polar Surface Area:
72.59HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA2272686
Name:
1-[(6-Chloropyridin-3-yl)methyl]-3-thioxopiperazin-2-oneMol. Formula:
C10H10ClN3OSM.W.:
255.73Type:
Small moleculeAlogP:
0.99Polar Surface Area:
45.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
0.95Polar Surface Area:
72.59HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
-0.32Polar Surface Area:
68.93HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
0.89Polar Surface Area:
72.59HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
-0.15Polar Surface Area:
70.77HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
-1.27Polar Surface Area:
79.56HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA2229406
Name:
N-(1-(2-fluoroethyl)imidazolidin-2-ylidene)nitramideMol. Formula:
C5H9FN4O2M.W.:
176.15Type:
Small moleculeAlogP:
-0.59Polar Surface Area:
70.77HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA2229405
Name:
N-(1-(3-chloropropyl)imidazolidin-2-ylidene)nitramideMol. Formula:
C6H11ClN4O2M.W.:
206.63Type:
Small moleculeAlogP:
0.07Polar Surface Area:
70.77HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA2229404
Name:
N-(1-(3-fluoropropyl)imidazolidin-2-ylidene)nitramideMol. Formula:
C6H11FN4O2M.W.:
190.18Type:
Small moleculeAlogP:
-0.20Polar Surface Area:
70.77HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
-0.58Polar Surface Area:
87.84HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS
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