ALA209651Name:
cis-(3R,6R)-(6-benzhydryl-tetrahydropyran-3-yl)-(4-nitrobenzyl)amineMol. Formula:
C25H26N2O3M.W.:
402.49Type:
Small moleculeAlogP:
5.06Polar Surface Area:
64.40HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS
ALA209603Name:
cis-(3S-6S)-(6-benzhydryl-tetrahydropyran-3-yl)-(1H-indol-5-ylmethyl)amineMol. Formula:
C27H28N2OM.W.:
396.53Type:
Small moleculeAlogP:
5.64Polar Surface Area:
37.05HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS
ALA378437Name:
cis-(3R,6R)-(6-benzhydryl-tetrahydropyran-3-yl)-(1H-indol-5-ylmethyl)amineMol. Formula:
C27H28N2OM.W.:
396.53Type:
Small moleculeAlogP:
5.64Polar Surface Area:
37.05HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS
ALA211077Name:
cis-(3S,6S)-(6-benzhydryl-tetrahydropyran-3-yl)-(4-hydroxy-benzyl)-amineMol. Formula:
C25H27NO2M.W.:
373.50Type:
Small moleculeAlogP:
4.86Polar Surface Area:
41.49HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS
ALA209809Name:
cis-(3R,6R)-(6-benzhydryl-tetrahydropyran-3-yl)-(4-hydroxy-benzyl)-amineMol. Formula:
C25H27NO2M.W.:
373.50Type:
Small moleculeAlogP:
4.86Polar Surface Area:
41.49HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS-
Type:
Small moleculeAlogP:
4.61Polar Surface Area:
57.28HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA213627
Name:
cis-(3S,6S)-(6-benzhydryl-tetrahydropyran-3-yl)-(4-aminobenzyl)amineMol. Formula:
C25H28N2OM.W.:
372.51Type:
Small moleculeAlogP:
4.74Polar Surface Area:
47.28HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA209843
Name:
cis-(3R,6R)-(6-benzhydryl-tetrahydropyran-3-yl)-(4-aminobenzyl)amineMol. Formula:
C25H28N2OM.W.:
372.51Type:
Small moleculeAlogP:
4.74Polar Surface Area:
47.28HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
4.61Polar Surface Area:
57.28HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA211994
Name:
(2S,4R,5R)-2-benzhydryl-5-(4-hydroxy-benzylamino)-tetrahydropyran-4-olMol. Formula:
C25H27NO3M.W.:
389.50Type:
Small moleculeAlogP:
3.83Polar Surface Area:
61.72HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA379706
Name:
(2R,4S, 5S)-2-benzhydryl-5-(4-hydroxy-benzylamino)-tetrahydro-pyran-4-olMol. Formula:
C25H27NO3M.W.:
389.50Type:
Small moleculeAlogP:
3.83Polar Surface Area:
61.72HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA211302
Name:
cis-(3S,6S)-(6-benzhydryl-tetrahydropyran-3-yl)-(4-nitrobenzyl)amineMol. Formula:
C25H26N2O3M.W.:
402.49Type:
Small moleculeAlogP:
5.06Polar Surface Area:
64.40HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
4.81Polar Surface Area:
29.54HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS
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