ALETHINE

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Synonyms
Status
Molecule Category Free-form
UNII LY583605Y8

Structure

InChI Key WELIVEBWRWAGOM-UHFFFAOYSA-N
Smiles NCCC(=O)NCCSSCCNC(=O)CCN
InChI
InChI=1S/C10H22N4O2S2/c11-3-1-9(15)13-5-7-17-18-8-6-14-10(16)2-4-12/h1-8,11-12H2,(H,13,15)(H,14,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22N4O2S2
Molecular Weight 294.45
AlogP -0.7
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 11.0
Polar Surface Area 110.24
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 18.0

Cross References

Resources Reference
ChEMBL CHEMBL1183627
DrugBank DB05800
FDA SRS LY583605Y8
SureChEMBL SCHEMBL689905
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