Type:
Small moleculeAlogP:
0.83Polar Surface Area:
222.39HBA:
9HBD:
8#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.09DETAILS
Type:
Small moleculeAlogP:
0.83Polar Surface Area:
222.39HBA:
9HBD:
8#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.09DETAILS
Type:
Small moleculeAlogP:
0.83Polar Surface Area:
222.39HBA:
9HBD:
8#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.09DETAILS
Type:
Small moleculeAlogP:
0.83Polar Surface Area:
222.39HBA:
9HBD:
8#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.09DETAILS
Type:
Small moleculeAlogP:
-0.51Polar Surface Area:
222.39HBA:
9HBD:
8#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.10DETAILS-
Type:
Small moleculeAlogP:
-1.03Polar Surface Area:
211.14HBA:
9HBD:
7#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
-3.69Polar Surface Area:
309.80HBA:
13HBD:
11#RO5 Violations:
3#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
Small moleculeAlogP:
-1.74Polar Surface Area:
230.59HBA:
9HBD:
8#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.14DETAILS - ALA1161298
Name:
N-[(2SR,3S)-3-Amino-5-carbamoyl-2-sulfanylpentanoyl]-L-phenylalanineMol. Formula:
C15H21N3O5SM.W.:
355.42Type:
Small moleculeAlogP:
-0.38Polar Surface Area:
144.74HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA1161297
Name:
(R)-1-Mercaptomethyl-3-sulfamoyl-propyl-ammoniumMol. Formula:
C4H12N2O2S2M.W.:
184.29Type:
Small moleculeAlogP:
-1.08Polar Surface Area:
86.18HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
-2.16Polar Surface Area:
260.47HBA:
11HBD:
9#RO5 Violations:
3#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.07DETAILS - ALA1161294
Name:
(R)-3-Carbamoyl-1-mercaptomethyl-propyl-ammoniumMol. Formula:
C5H12N2OSM.W.:
148.23Type:
Small moleculeAlogP:
-0.49Polar Surface Area:
69.11HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
-0.51Polar Surface Area:
222.39HBA:
9HBD:
8#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
Small moleculeAlogP:
-1.74Polar Surface Area:
230.59HBA:
9HBD:
8#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
-0.10Polar Surface Area:
69.11HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
0.37Polar Surface Area:
52.04HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
-0.95Polar Surface Area:
106.41HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA326956
Name:
(R)-4-Aminomethyl-5-mercapto-pentanoic acid amideMol. Formula:
C6H14N2OSM.W.:
162.26Type:
Small moleculeAlogP:
-0.24Polar Surface Area:
69.11HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA325289
Name:
(S)-2-Amino-pentanedioic acid 5-amide 1-hydroxyamideMol. Formula:
C5H11N3O3M.W.:
161.16Type:
Small moleculeAlogP:
-1.92Polar Surface Area:
118.44HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
-0.69Polar Surface Area:
120.85HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS
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