ALA4781269Name:
(R)-N-(3-chloro-5-methylphenyl)-5-oxo-1,4-thiazepane-3-carboxamideMol. Formula:
C13H15ClN2O2SM.W.:
298.80Type:
UnknownAlogP:
2.21Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.88DETAILS
ALA4777988Name:
(R)-N-(3,5-dichlorophenyl)-5-oxo-1,4-thiazepane-3-carboxamideMol. Formula:
C12H12Cl2N2O2SM.W.:
319.21Type:
UnknownAlogP:
2.55Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.88DETAILS
ALA4763684Name:
(R)-N-(3-bromo-5-iodophenyl)-5-oxo-1,4-thiazepane-3-carboxamideMol. Formula:
C12H12BrIN2O2SM.W.:
455.12Type:
UnknownAlogP:
2.61Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS
ALA4763297Name:
(R)-N-(3-chlorophenyl)-5-oxo-1,4-thiazepane-3-carboxamideMol. Formula:
C12H13ClN2O2SM.W.:
284.77Type:
UnknownAlogP:
1.90Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.87DETAILS
ALA4762773Name:
(R)-N-(3-chloro-5-fluorophenyl)-5-oxo-1,4-thiazepane-3-carboxamideMol. Formula:
C12H12ClFN2O2SM.W.:
302.76Type:
UnknownAlogP:
2.04Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.88DETAILS- ALA4758183
Name:
(R)-N-(3-bromo-5-chlorophenyl)-5-oxo-1,4-thiazepane-3-carboxamideMol. Formula:
C12H12BrClN2O2SM.W.:
363.66Type:
UnknownAlogP:
2.66Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA4754364
Name:
(R)-N-(3,5-bis(trifluoromethyl)phenyl)-5-oxo-1,4-thiazepane-3-carboxamideMol. Formula:
C14H12F6N2O2SM.W.:
386.32Type:
UnknownAlogP:
3.28Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA4754042
Name:
(S)-N-(3-bromophenyl)-5-oxo-1,4-thiazepane-3-carboxamideMol. Formula:
C12H13BrN2O2SM.W.:
329.22Type:
UnknownAlogP:
2.01Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA4753300
Name:
(R)-N-(3-bromophenyl)-5-oxo-1,4-thiazepane-3-carboxamideMol. Formula:
C12H13BrN2O2SM.W.:
329.22Type:
UnknownAlogP:
2.01Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA4751096
Name:
(R)-N-(3-fluoro-5-iodophenyl)-5-oxo-1,4-thiazepane-3-carboxamideMol. Formula:
C12H12FIN2O2SM.W.:
394.21Type:
UnknownAlogP:
1.99Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA4749281
Name:
(R)-N-(3,5-difluorophenyl)-5-oxo-1,4-thiazepane-3-carboxamideMol. Formula:
C12H12F2N2O2SM.W.:
286.30Type:
UnknownAlogP:
1.52Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.87DETAILS - ALA4748883
Name:
(R)-N-(3-bromo-5-fluorophenyl)-5-oxo-1,4-thiazepane-3-carboxamideMol. Formula:
C12H12BrFN2O2SM.W.:
347.21Type:
UnknownAlogP:
2.15Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA4744533
Name:
(R)-N-(3,5-dimethylphenyl)-5-oxo-1,4-thiazepane-3-carboxamideMol. Formula:
C14H18N2O2SM.W.:
278.38Type:
UnknownAlogP:
1.86Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.87DETAILS - ALA4743836
Name:
(S)-N-(3-bromo-5-chlorophenyl)-5-oxo-1,4-thiazepane-3-carboxamideMol. Formula:
C12H12BrClN2O2SM.W.:
363.66Type:
UnknownAlogP:
2.66Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA4742838
Name:
(S)-N-(3,5-dibromophenyl)-5-oxo-1,4-thiazepane-3-carboxamideMol. Formula:
C12H12Br2N2O2SM.W.:
408.12Type:
UnknownAlogP:
2.77Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA4742127
Name:
(R)-N-(3,5-dibromophenyl)-5-oxo-1,4-thiazepane-3-carboxamideMol. Formula:
C12H12Br2N2O2SM.W.:
408.12Type:
UnknownAlogP:
2.77Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
0.36Polar Surface Area:
176.61HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
0.72Polar Surface Area:
147.15HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
0.73Polar Surface Area:
156.38HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
0.23Polar Surface Area:
185.84HBA:
8HBD:
5#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.32DETAILS
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