Type:
UnknownAlogP:
1.10Polar Surface Area:
63.32HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.46DETAILS
ALA4583040Name:
(R)-methyl 3-(4-fluorobenzylthio)-2-(4-hydroxybenzamido)propanoateMol. Formula:
C18H18FNO4SM.W.:
363.41Type:
UnknownAlogP:
2.74Polar Surface Area:
75.63HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.74DETAILS
ALA4580219Name:
(R)-methyl 3-(benzylthio)-2-(3,5-dihydroxybenzamido)propanoateMol. Formula:
C18H19NO5SM.W.:
361.42Type:
UnknownAlogP:
2.30Polar Surface Area:
95.86HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.66DETAILS
Type:
UnknownAlogP:
-0.15Polar Surface Area:
52.32HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.36DETAILS
ALA4565255Name:
Methyl S-(4-fluorobenzyl)-N-(3,4,5-trimethoxybenzoyl)-L-cysteinateMol. Formula:
C21H24FNO6SM.W.:
437.49Type:
UnknownAlogP:
3.06Polar Surface Area:
83.09HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.57DETAILS- ALA4558784
Name:
Methyl S-(4-fluorobenzyl)-N-(3,4,5-trihydroxybenzoyl)-L-cysteinateMol. Formula:
C18H18FNO6SM.W.:
395.41Type:
UnknownAlogP:
2.15Polar Surface Area:
116.09HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA4555372
Name:
Methyl S-allyl-N-(3,5-dihydroxybenzoyl)-L-cysteinateMol. Formula:
C14H17NO5SM.W.:
311.36Type:
UnknownAlogP:
1.29Polar Surface Area:
95.86HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4553235
Name:
(R)-methyl 2-(4-hydroxybenzamido)-3-(pent-4-enylthio)propanoateMol. Formula:
C16H21NO4SM.W.:
323.41Type:
UnknownAlogP:
2.36Polar Surface Area:
75.63HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA4550068
Name:
(R)-methyl 2-amino-3-(pent-4-enylthio)propanoateMol. Formula:
C9H17NO2SM.W.:
203.31Type:
UnknownAlogP:
1.19Polar Surface Area:
52.32HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA4548002
Name:
(R)-methyl 2-(3,5-dihydroxybenzamido)-3-(4-fluorobenzylthio)propanoateMol. Formula:
C18H18FNO5SM.W.:
379.41Type:
UnknownAlogP:
2.44Polar Surface Area:
95.86HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA4542434
Name:
(R)-methyl 2-amino-3-(4-fluorobenzylthio)propanoateMol. Formula:
C11H14FNO2SM.W.:
243.30Type:
UnknownAlogP:
1.56Polar Surface Area:
52.32HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
UnknownAlogP:
0.71Polar Surface Area:
63.32HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4527499
Name:
(R)-methyl 2-(4-hydroxybenzamido)-3-(prop-2-ynylthio)propanoateMol. Formula:
C14H15NO4SM.W.:
293.34Type:
UnknownAlogP:
1.03Polar Surface Area:
75.63HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA4519867
Name:
Methyl S-(prop-2-yn-1-yl)-N-(3,4,5-trimethoxybenzoyl)-L-cysteinateMol. Formula:
C17H21NO6SM.W.:
367.42Type:
UnknownAlogP:
1.35Polar Surface Area:
83.09HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4519438
Name:
Methyl S-(but-3-en-1-yl)-N-(3,5-dihydroxybenzoyl)-L-cysteinateMol. Formula:
C15H19NO5SM.W.:
325.39Type:
UnknownAlogP:
1.68Polar Surface Area:
95.86HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA4476502
Name:
Methyl S-(but-3-en-1-yl)-N-(3,4,5-trimethoxybenzoyl)-L-cysteinateMol. Formula:
C18H25NO6SM.W.:
383.47Type:
UnknownAlogP:
2.29Polar Surface Area:
83.09HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
UnknownAlogP:
1.42Polar Surface Area:
52.32HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA4472039
Name:
Methyl S-(pent-4-en-1-yl)-N-(3,4,5-trihydroxybenzoyl)-L-cysteinateMol. Formula:
C16H21NO6SM.W.:
355.41Type:
UnknownAlogP:
1.77Polar Surface Area:
116.09HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
UnknownAlogP:
0.80Polar Surface Area:
52.32HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA4471558
Name:
Methyl S-(but-3-en-1-yl)-N-(3,4,5-trihydroxybenzoyl)-L-cysteinateMol. Formula:
C15H19NO6SM.W.:
341.39Type:
UnknownAlogP:
1.38Polar Surface Area:
116.09HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.24DETAILS
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