ALA4758952Name:
(3S,4S)-3-Amino-4-chlorocyclopent-1-enecarboxylic acidMol. Formula:
C6H8ClNO2M.W.:
161.59Type:
UnknownAlogP:
0.34Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.55DETAILS
ALA4747359Name:
(3S,4S)-3-Amino-4-fluorocyclopent-1-enecarboxylic acidMol. Formula:
C6H8FNO2M.W.:
145.13Type:
UnknownAlogP:
0.07Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.55DETAILS
ALA4746439Name:
(S)-3-amino-4-(difluoromethylene)cyclopent-1-enecarboxylic acidMol. Formula:
C7H7F2NO2M.W.:
175.13Type:
UnknownAlogP:
0.88Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.62DETAILS
ALA4741430Name:
(3S,4S)-3-Amino-4-bromocyclopent-1-enecarboxylic acidMol. Formula:
C6H8BrNO2M.W.:
206.04Type:
UnknownAlogP:
0.49Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.61DETAILS
Type:
UnknownAlogP:
-0.24Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS-
Type:
Small moleculeAlogP:
0.54Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
0.54Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
0.54Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA2147354
Name:
4-(Aminomethyl)thiophene-3-carboxylic acid hydrochlorideMol. Formula:
C6H8ClNO2SM.W.:
193.66Type:
Small moleculeAlogP:
0.91Polar Surface Area:
63.32HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA2147353
Name:
4-(Aminomethyl)furan-3-carboxylic acid hydrochlorideMol. Formula:
C6H8ClNO3M.W.:
177.59Type:
Small moleculeAlogP:
0.44Polar Surface Area:
76.46HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA2147352
Name:
4-(Aminomethyl)-1H-pyrrole-2-carboxylic acid hydrochlorideMol. Formula:
C6H9ClN2O2M.W.:
176.60Type:
Small moleculeAlogP:
0.17Polar Surface Area:
79.11HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA2147351
Name:
4-(Aminomethyl)thiophene-2-carboxylic acid hydrochlorideMol. Formula:
C6H8ClNO2SM.W.:
193.66Type:
Small moleculeAlogP:
0.91Polar Surface Area:
63.32HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA2147350
Name:
4-(Aminomethyl)furan-2-carboxylic acid hydrochlorideMol. Formula:
C6H8ClNO3M.W.:
177.59Type:
Small moleculeAlogP:
0.44Polar Surface Area:
76.46HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA2147349
Name:
5-(Aminomethyl)-1H-pyrrole-2-carboxylic acid hydrochlorideMol. Formula:
C6H9ClN2O2M.W.:
176.60Type:
Small moleculeAlogP:
0.17Polar Surface Area:
79.11HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA2147348
Name:
5-(Aminomethyl)thiophene-2-carboxylic acid hydrochlorideMol. Formula:
C6H8ClNO2SM.W.:
193.66Type:
Small moleculeAlogP:
0.91Polar Surface Area:
63.32HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA2147347
Name:
5-(Aminomethyl)furan-2-carboxylic acid hydrochlorideMol. Formula:
C6H8ClNO3M.W.:
177.59Type:
Small moleculeAlogP:
0.44Polar Surface Area:
76.46HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
-0.08Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA1159900
Name:
(2S)-2-amino-2-methyl-3-(phosphonooxy)propanoic acidMol. Formula:
C4H10NO6PM.W.:
199.10Type:
Small moleculeAlogP:
-1.10Polar Surface Area:
130.08HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA220453
Name:
(1S,3S)-3-amino-4-(2,2,2-trifluoro-1-trifluoromethylethylidene)cyclopentaneMol. Formula:
C9H9F6NO2M.W.:
277.16Type:
Small moleculeAlogP:
2.23Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA219479
Name:
(1S,3S)-(Z)-3-amino-4-(2,2,2-trifluoroethylidene)cyclopentane carboxylicMol. Formula:
C8H10F3NO2M.W.:
209.17Type:
Small moleculeAlogP:
1.30Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.64DETAILS
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