Type:
Small moleculeAlogP:
-2.97Polar Surface Area:
92.95HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.30DETAILS
ALA2206827Name:
2-[((S)-1-Hydroxy-ethylamino)-methyl]-pyrrolidine-3,4-diolMol. Formula:
C7H16N2O3M.W.:
176.22Type:
Small moleculeAlogP:
-2.39Polar Surface Area:
84.75HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.31DETAILS
ALA2206826Name:
2-[((R)-1-Hydroxy-ethylamino)-methyl]-pyrrolidine-3,4-diolMol. Formula:
C7H16N2O3M.W.:
176.22Type:
Small moleculeAlogP:
-2.39Polar Surface Area:
84.75HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.31DETAILS
ALA313295Name:
2-{[(Furan-2-ylmethyl)-amino]-methyl}-pyrrolidine-3,4-diolMol. Formula:
C10H16N2O3M.W.:
212.25Type:
Small moleculeAlogP:
-0.94Polar Surface Area:
77.66HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS
ALA82895Name:
2-{[(Imidazol-1-ylmethyl)-amino]-methyl}-pyrrolidine-3,4-diolMol. Formula:
C9H16N4O2M.W.:
212.25Type:
Small moleculeAlogP:
-1.88Polar Surface Area:
82.34HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS-
Type:
Small moleculeAlogP:
0.59Polar Surface Area:
84.75HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA445624
Name:
N-Benzyl-N-(3,4-dihydroxy-pyrrolidin-2-ylmethyl)-acetamideMol. Formula:
C14H20N2O3M.W.:
264.32Type:
Small moleculeAlogP:
-0.27Polar Surface Area:
72.80HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
0.18Polar Surface Area:
64.52HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA84941
Name:
2-{[(Thiophen-2-ylmethyl)-amino]-methyl}-pyrrolidine-3,4-diolMol. Formula:
C10H16N2O2SM.W.:
228.32Type:
Small moleculeAlogP:
-0.47Polar Surface Area:
64.52HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
-0.79Polar Surface Area:
64.52HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA84272
Name:
2-{[(1-Benzyl-piperidin-4-ylmethyl)-amino]-methyl}-pyrrolidine-3,4-diolMol. Formula:
C18H29N3O2M.W.:
319.45Type:
Small moleculeAlogP:
0.18Polar Surface Area:
67.76HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
-2.36Polar Surface Area:
78.51HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
-0.53Polar Surface Area:
64.52HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
-2.62Polar Surface Area:
92.95HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA309850
Name:
2-[((R)-1-Phenyl-ethylamino)-methyl]-pyrrolidine-3,4-diolMol. Formula:
C13H20N2O2M.W.:
236.32Type:
Small moleculeAlogP:
0.03Polar Surface Area:
64.52HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS
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