Type:
---AlogP:
3.40Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
---AlogP:
3.19Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA5184751Name:
4-(4-Hydroxyphenyl)tricyclo[3.3.1.1(3,7)]decane-1-methanolMol. Formula:
C17H22O2M.W.:
258.36Type:
---AlogP:
3.29Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS
ALA4798747Name:
rac-1-(4-Hydroxybenzyl)-2,3-dihydro-1H-inden-5-olMol. Formula:
C16H16O2M.W.:
240.30Type:
UnknownAlogP:
3.37Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS
ALA4796518Name:
1-(3-Chloro-4-hydroxybenzyl)-5-hydroxy-2,3-dihydro-1H-indene-1-carbonitrileMol. Formula:
C17H14ClNO2M.W.:
299.76Type:
UnknownAlogP:
3.70Polar Surface Area:
64.25HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.89DETAILS- ALA4795911
Name:
(1S)-5-Hydroxy-1-(4-hydroxybenzyl)-2,3-dihydro-1H-indene-1-carbonitrileMol. Formula:
C17H15NO2M.W.:
265.31Type:
UnknownAlogP:
3.05Polar Surface Area:
64.25HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
UnknownAlogP:
3.37Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA4795356
Name:
5-Hydroxy-1-(4-hydroxy-3-methylbenzyl)-2,3-dihydro-1H-indene-1-carbonitrileMol. Formula:
C18H17NO2M.W.:
279.34Type:
UnknownAlogP:
3.36Polar Surface Area:
64.25HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA4795195
Name:
5-(4-Hydroxybenzyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-olMol. Formula:
C18H20O2M.W.:
268.36Type:
UnknownAlogP:
4.15Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4790777
Name:
1-(4-Hydroxybenzyl)-1-methyl-2,3-dihydro-1H-inden-5-olMol. Formula:
C17H18O2M.W.:
254.33Type:
UnknownAlogP:
3.54Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA4789847
Name:
1-(3-Fluoro-4-hydroxybenzyl)-5-hydroxy-2,3-dihydro-1H-indene-1-carbonitrileMol. Formula:
C17H14FNO2M.W.:
283.30Type:
UnknownAlogP:
3.19Polar Surface Area:
64.25HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA4789805
Name:
(1R)-5-Hydroxy-1-(4-hydroxybenzyl)-2,3-dihydro-1H-indene-1-carbonitrileMol. Formula:
C17H15NO2M.W.:
265.31Type:
UnknownAlogP:
3.05Polar Surface Area:
64.25HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA4787989
Name:
1-(2-Fluoro-4-hydroxybenzyl)-5-hydroxy-2,3-dihydro-1H-indene-1-carbonitrileMol. Formula:
C17H14FNO2M.W.:
283.30Type:
UnknownAlogP:
3.19Polar Surface Area:
64.25HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA4785948
Name:
17-(1-Phenyl-1H-1,2,3-triazol-4-yl)-estra-1,3,5(10)-triene-3,17-diolMol. Formula:
C26H29N3O2M.W.:
415.54Type:
UnknownAlogP:
4.72Polar Surface Area:
71.17HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA4784379
Name:
(1R)-1-(4-Hydroxybenzyl)-2,3-dihydro-1H-inden-5-olMol. Formula:
C16H16O2M.W.:
240.30Type:
UnknownAlogP:
3.37Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA4782490
Name:
9alpha-Cyanoestradiol; 3,17-Dihydroxy-estra,1,3,5(10)-triene-9-carbonitrileMol. Formula:
C19H23NO2M.W.:
297.40Type:
UnknownAlogP:
3.29Polar Surface Area:
64.25HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
UnknownAlogP:
3.37Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
UnknownAlogP:
4.78Polar Surface Area:
71.17HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA4776568
Name:
rac-5-Hydroxy-1-(4-hydroxybenzyl)-2,3-dihydro-1H-indene-1-carbonitrileMol. Formula:
C17H15NO2M.W.:
265.31Type:
UnknownAlogP:
3.05Polar Surface Area:
64.25HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA4762335
Name:
1-Butyl-1-(4-hydroxybenzyl)-2,3-dihydro-1H-inden-5-olMol. Formula:
C20H24O2M.W.:
296.41Type:
UnknownAlogP:
4.71Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS
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