ALA541547Name:
[(3-Amino-propane-1-sulfonyl)-hydroxy-amino]-acetic acid hydrobromideMol. Formula:
C5H13BrN2O5SM.W.:
293.14Type:
Small moleculeAlogP:
-1.56Polar Surface Area:
120.93HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS
ALA542848Name:
3-Amino-propane-1-sulfonic acid hydroxyamide hydrobromideMol. Formula:
C3H11BrN2O3SM.W.:
235.10Type:
Small moleculeAlogP:
-1.36Polar Surface Area:
92.42HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS
ALA545424Name:
3-Amino-propane-1-sulfonic acid benzyl-hydroxy-amide hydrobromideMol. Formula:
C10H17BrN2O3SM.W.:
325.23Type:
Small moleculeAlogP:
0.56Polar Surface Area:
83.63HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.72DETAILS
ALA553273Name:
3-Amino-propane-1-sulfonic acid hydroxy-methyl-amide hydrobromideMol. Formula:
C4H13BrN2O3SM.W.:
249.13Type:
Small moleculeAlogP:
-1.01Polar Surface Area:
83.63HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA352026Name:
Thiophosphoric acid O-(2-acetylamino-phenyl) ester O',O''-diethyl esterMol. Formula:
C12H18NO4PSM.W.:
303.32Type:
Small moleculeAlogP:
3.32Polar Surface Area:
56.79HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.78DETAILS-
Type:
Small moleculeAlogP:
4.25Polar Surface Area:
61.55HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA158906
Name:
[2-(Diphenoxy-phosphorylamino)-propyl]-phosphoramidic acid diphenyl esterMol. Formula:
C27H28N2O6P2M.W.:
538.48Type:
Small moleculeAlogP:
7.09Polar Surface Area:
95.12HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.17DETAILS - ALA160410
Name:
4,4-Dimethyl-2-phenyl-[1,3,2]oxazaphospholidine 2-sulfideMol. Formula:
C10H14NOPSM.W.:
227.27Type:
Small moleculeAlogP:
2.02Polar Surface Area:
21.26HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.74DETAILS - ALA157647
Name:
(1,1,3,3-Tetramethyl-butyl)-phosphoramidic acid diphenyl esterMol. Formula:
C20H28NO3PM.W.:
361.42Type:
Small moleculeAlogP:
6.06Polar Surface Area:
47.56HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.61DETAILS - 2-Aminoethyl hydrogen sulfate
Name:
Sulfuric acid mono-(2-amino-ethyl) esterMol. Formula:
C2H7NO4SM.W.:
141.15Type:
Small moleculeAlogP:
-1.24Polar Surface Area:
89.62HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS - O-Phosphorylethanolamine
Name:
Phosphoric acid mono-(2-amino-ethyl) esterMol. Formula:
C2H8NO4PM.W.:
141.06Type:
Small moleculeAlogP:
-0.95Polar Surface Area:
92.78HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
-0.78Polar Surface Area:
80.39HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
2.19Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.47DETAILS - CGP 47656
Name:
(3-Amino-propyl)-difluoromethyl-phosphinic acidMol. Formula:
C4H10F2NO2PM.W.:
173.10Type:
Small moleculeAlogP:
0.83Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
-0.44Polar Surface Area:
83.55HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
0.62Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
1.01Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA113304
Name:
(3-Amino-2-hydroxy-propyl)-methyl-phosphinic acidMol. Formula:
C4H12NO3PM.W.:
153.12Type:
Small moleculeAlogP:
-0.79Polar Surface Area:
83.55HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA324406
Name:
(3-Amino-1-trifluoromethyl-propyl)-methyl-phosphinic acidMol. Formula:
C5H11F3NO2PM.W.:
205.12Type:
Small moleculeAlogP:
1.17Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA112933
Name:
(3-Amino-1-hydroxy-propyl)-methyl-phosphinic acidMol. Formula:
C4H12NO3PM.W.:
153.12Type:
Small moleculeAlogP:
-0.45Polar Surface Area:
83.55HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS
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