ALA2229475Name:
[2-(2,2-Dimethyl-2H-chromen-6-yl)ethyl]isopropylamine HydrochlorideMol. Formula:
C16H24ClNOM.W.:
281.83Type:
Small moleculeAlogP:
3.41Polar Surface Area:
21.26HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.88DETAILS
ALA2229474Name:
(2,2-Dimethyl-2H-chromen-6-ylmethyl)isopropylamine HydrochlorideMol. Formula:
C15H22ClNOM.W.:
267.80Type:
Small moleculeAlogP:
3.37Polar Surface Area:
21.26HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS
ALA2229473Name:
[2-(2,2-Dimethyl-2H-chromen-6-yl)ethyl]methylamine HydrochlorideMol. Formula:
C14H20ClNOM.W.:
253.77Type:
Small moleculeAlogP:
2.63Polar Surface Area:
21.26HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.84DETAILS
Type:
Small moleculeAlogP:
3.42Polar Surface Area:
30.49HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.89DETAILS
ALA2229471Name:
[3-(2,2-Dimethyl-2H-chromen-6-yl)propyl]isopropylamine HydrochlorideMol. Formula:
C17H26ClNOM.W.:
295.85Type:
Small moleculeAlogP:
3.80Polar Surface Area:
21.26HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.81DETAILS- ALA2229470
Name:
N-((2,2-dimethyl-2H-chromen-5-yl)methyl)propan-2-amine hydrochlorideMol. Formula:
C15H22ClNOM.W.:
267.80Type:
Small moleculeAlogP:
3.37Polar Surface Area:
21.26HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
Small moleculeAlogP:
2.37Polar Surface Area:
35.25HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.80DETAILS - ALA2229468
Name:
N-((2,2-dimethyl-2H-chromen-7-yl)methyl)propan-2-amine hydrochlorideMol. Formula:
C15H22ClNOM.W.:
267.80Type:
Small moleculeAlogP:
3.37Polar Surface Area:
21.26HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA2229467
Name:
[4-(1,1-Dimethyl-prop-2-ynyloxy)phenyl]-acetic Acid Methyl EsterMol. Formula:
C14H16O3M.W.:
232.28Type:
Small moleculeAlogP:
2.19Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA2229466
Name:
3-(1,1-Dimethylprop-2-ynyloxy)benzoic Acid Methyl EsterMol. Formula:
C13H14O3M.W.:
218.25Type:
Small moleculeAlogP:
2.26Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.58DETAILS - ALA2229463
Name:
[4-(1,1-Dimethylprop-2-ynyloxy)-3-methoxyphenyl]acetic Acid Ethyl EsterMol. Formula:
C16H20O4M.W.:
276.33Type:
Small moleculeAlogP:
2.59Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
2.36Polar Surface Area:
29.46HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.74DETAILS - ALA2229461
Name:
(8-Methoxy-2,2-dimethyl-2H-chromen-6-yl)acetic Acid Ethyl EsterMol. Formula:
C16H20O4M.W.:
276.33Type:
Small moleculeAlogP:
2.99Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA2229459
Name:
2-(8-Methoxy-2,2-dimethyl-2H-chromen-6-yl)ethanolMol. Formula:
C14H18O3M.W.:
234.29Type:
Small moleculeAlogP:
2.41Polar Surface Area:
38.69HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.87DETAILS - ALA2229458
Name:
3-[4-(1,1-Dimethylprop-2-ynyloxy)phenyl]propionic Acid Methyl EsterMol. Formula:
C15H18O3M.W.:
246.31Type:
Small moleculeAlogP:
2.58Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA2229457
Name:
3-(2,2-Dimethyl-2H-chromen-6-yl)propionic Acid Methyl EsterMol. Formula:
C15H18O3M.W.:
246.31Type:
Small moleculeAlogP:
2.98Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
2.26Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
1.56Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
1.79Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
1.49Polar Surface Area:
64.68HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS
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