ALA168773Name:
2-(6-Bromo-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazoleMol. Formula:
C11H11BrN2O2M.W.:
283.13Type:
Small moleculeAlogP:
1.59Polar Surface Area:
42.85HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.85DETAILS
ALA354686Name:
[(2,3-Dihydro-benzo[1,4]dioxine-2-carboximidoyl)-amino]-acetic acidMol. Formula:
C11H12N2O4M.W.:
236.23Type:
Small moleculeAlogP:
0.27Polar Surface Area:
94.14HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS
ALA170550Name:
E2-(5-Methyl-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazoleMol. Formula:
C12H14N2O2M.W.:
218.26Type:
Small moleculeAlogP:
1.14Polar Surface Area:
42.85HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA353711Name:
2-(6,7-Dimethyl-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazoleMol. Formula:
C13H16N2O2M.W.:
232.28Type:
Small moleculeAlogP:
1.44Polar Surface Area:
42.85HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
Small moleculeAlogP:
0.85Polar Surface Area:
61.31HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS- ALA169852
Name:
2-(6-Fluoro-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazoleMol. Formula:
C11H11FN2O2M.W.:
222.22Type:
Small moleculeAlogP:
0.97Polar Surface Area:
42.85HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA354029
Name:
2-(6-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazoleMol. Formula:
C11H11ClN2O2M.W.:
238.67Type:
Small moleculeAlogP:
1.48Polar Surface Area:
42.85HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA445918
Name:
2-(6,7-Dibromo-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazoleMol. Formula:
C11H10Br2N2O2M.W.:
362.02Type:
Small moleculeAlogP:
2.35Polar Surface Area:
42.85HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA354397
Name:
N-(4,5-Dihydro-thiazol-2-yl)-2,3-dihydro-benzo[1,4]dioxine-2-carboxamidineMol. Formula:
C12H13N3O2SM.W.:
263.32Type:
Small moleculeAlogP:
1.50Polar Surface Area:
66.70HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA169062
Name:
6-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-[1,3,5]triazine-2,4-diamineMol. Formula:
C11H11N5O2M.W.:
245.24Type:
Small moleculeAlogP:
0.55Polar Surface Area:
109.17HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA353804
Name:
2-(4,5-Dihydro-1H-imidazol-2-yl)-2,3-dihydro-benzo[1,4]dioxin-5-olMol. Formula:
C11H12N2O3M.W.:
220.23Type:
Small moleculeAlogP:
0.53Polar Surface Area:
63.08HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA166440
Name:
2-(6,7-Dichloro-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazoleMol. Formula:
C11H10Cl2N2O2M.W.:
273.12Type:
Small moleculeAlogP:
2.13Polar Surface Area:
42.85HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA168351
Name:
N-Piperidin-1-yl-2,3-dihydro-benzo[1,4]dioxine-2-carboxamidineMol. Formula:
C14H19N3O2M.W.:
261.32Type:
Small moleculeAlogP:
1.79Polar Surface Area:
57.58HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA168978
Name:
2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-benzooxazoleMol. Formula:
C15H11NO3M.W.:
253.26Type:
Small moleculeAlogP:
3.34Polar Surface Area:
44.49HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
1.87Polar Surface Area:
89.85HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA299548
Name:
2-Cyclopentylethynyl-8-(3-fluoro-phenyl)-9-methyl-9H-purin-6-ylamineMol. Formula:
C19H18FN5M.W.:
335.39Type:
Small moleculeAlogP:
3.29Polar Surface Area:
69.62HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
2.65Polar Surface Area:
89.85HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA51394
Name:
1-(6-Amino-9-methyl-8-phenyl-9H-purin-2-ylethynyl)-cyclohexanolMol. Formula:
C20H21N5OM.W.:
347.42Type:
Small moleculeAlogP:
2.66Polar Surface Area:
89.85HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA51829
Name:
1-(6-Amino-9-methyl-8-pyridin-2-yl-9H-purin-2-ylethynyl)-cyclohexanolMol. Formula:
C19H20N6OM.W.:
348.41Type:
Small moleculeAlogP:
2.05Polar Surface Area:
102.74HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA52432
Name:
1-(6-Amino-9-methyl-9H-purin-2-ylethynyl)-cyclohexanolMol. Formula:
C14H17N5OM.W.:
271.32Type:
Small moleculeAlogP:
0.99Polar Surface Area:
89.85HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.70DETAILS
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