Type:
UnknownAlogP:
4.37Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS
ALA3774966Name:
(+/-)-trans-1,2-bis(2-mercaptoacetamido)cyclohexaneMol. Formula:
C10H18N2O2S2M.W.:
262.40Type:
Small moleculeAlogP:
0.39Polar Surface Area:
58.20HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS-
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA2165614
Name:
5-((5-Phenylbiphenyl-3-yloxy)methyl)-1H-pyrazol-3(2H)-oneMol. Formula:
C22H18N2O2M.W.:
342.40Type:
Small moleculeAlogP:
4.62Polar Surface Area:
57.88HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA2165613
Name:
5-((Biphenyl-3-yloxy)methyl)-1H-pyrazol-3(2H)-oneMol. Formula:
C16H14N2O2M.W.:
266.30Type:
Small moleculeAlogP:
2.95Polar Surface Area:
57.88HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA2165612
Name:
5-((3-Bromophenoxy)methyl)-1H-pyrazol-3(2H)-oneMol. Formula:
C10H9BrN2O2M.W.:
269.10Type:
Small moleculeAlogP:
2.04Polar Surface Area:
57.88HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.90DETAILS - ALA2165611
Name:
5-((3,5-Dibromophenoxy)methyl)-1H-pyrazol-3(2H)-oneMol. Formula:
C10H8Br2N2O2M.W.:
347.99Type:
Small moleculeAlogP:
2.81Polar Surface Area:
57.88HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA2165610
Name:
5-((3,5-Difluorophenoxy)methyl)-1H-pyrazol-3(2H)-oneMol. Formula:
C10H8F2N2O2M.W.:
226.18Type:
Small moleculeAlogP:
1.56Polar Surface Area:
57.88HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.83DETAILS - ALA2165609
Name:
5-((3,5-Bis(trifluoromethyl)phenoxy)methyl)-1H-pyrazol-3(2H)-oneMol. Formula:
C12H8F6N2O2M.W.:
326.20Type:
Small moleculeAlogP:
3.32Polar Surface Area:
57.88HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA2165608
Name:
5-((3-tert-Butylphenoxy)methyl)-1H-pyrazol-3(2H)-oneMol. Formula:
C14H18N2O2M.W.:
246.31Type:
Small moleculeAlogP:
2.58Polar Surface Area:
57.88HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.87DETAILS - ALA2165607
Name:
5-((3-Ethylphenoxy)methyl)-1H-pyrazol-3(2H)-oneMol. Formula:
C12H14N2O2M.W.:
218.26Type:
Small moleculeAlogP:
1.84Polar Surface Area:
57.88HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA2165606
Name:
5-((4-Ethylphenoxy)methyl)-1H-pyrazol-3(2H)-oneMol. Formula:
C12H14N2O2M.W.:
218.26Type:
Small moleculeAlogP:
1.84Polar Surface Area:
57.88HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA2165604
Name:
5-((4-chloro-2,5-dimethylphenylsulfonyl)methyl)-1H-pyrazol-3(2H)-oneMol. Formula:
C12H13ClN2O3SM.W.:
300.77Type:
Small moleculeAlogP:
1.95Polar Surface Area:
82.79HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA2165602
Name:
5-((4-chlorophenylsulfonyl)methyl)-1H-pyrazol-3(2H)-oneMol. Formula:
C10H9ClN2O3SM.W.:
272.71Type:
Small moleculeAlogP:
1.33Polar Surface Area:
82.79HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA2165601
Name:
5-((4-chloro-2,5-dimethylphenylsulfinyl)methyl)-1H-pyrazol-3(2H)-oneMol. Formula:
C12H13ClN2O2SM.W.:
284.77Type:
Small moleculeAlogP:
2.28Polar Surface Area:
71.71HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS
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