N'-[2-[[(E)-4-[2-(3-aminopropylamino)ethyldisulfanyl]but-2-enyl]disulfanyl]ethyl]propane-1,3-diamine
Formula:C14H32N4S4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N'-[2-[[(E)-4-[2-(3-aminopropylamino)ethyldisulfanyl]but-2-enyl]disulfanyl]ethyl]propane-1,3-diamine is a drug-like molecule.
| MolName | N'-[2-[[(E)-4-[2-(3-aminopropylamino)ethyldisulfanyl]but-2-enyl]disulfanyl]ethyl]propane-1,3-diamine |
| MolecularFormula | C14H32N4S4 |
| Smiles | NCCCNCCSSC/C=C/CSSCCNCCCN |
| InChI | InChI=1S/C14H32N4S4/c15-5-3-7-17-9-13-21-19-11-1-2-12-20-22-14-10-18-8-4-6-16/h1-2,17-18H,3-16H2 |
| InChIK | AHJBLLRYTZBWJE-UHFFFAOYSA-N |
| TotalMolweight | 384.7 |
| Molweight | 384.7 |
| MonoisotopicMass | 384.150976 |
| CLogP | 1.5834 |
| CLogS | -3.152 |
| H Acceptors | 4 |
| H Donors | 4 |
| TotalSurfaceArea | 315.04 |
| Relative PSA | 0.39176 |
| PolarSurfaceArea | 177.3 |
| Druglikeness | -2.9835 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 1 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 18 |
| Sp3Atoms | 20 |
| Symmetricatoms | 11 |
| Amines | 4 |
| AlkylAmines | 4 |
| BasicNitrogens | 4 |
| StereoCon |
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1 - N'-[2-[[(E)-4-[2-(3-aminopropylamino)ethyldisulfanyl]but-2-enyl]disulfanyl]ethyl]propane-1,3-diamine | 2 - N'-[2-[[(E)-4-[2-(3-aminopropylamino)ethyldisulfanyl]but-2-enyl]disulfanyl]ethyl]propane-1,3-diamine
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