(6Z,25Z)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,25-diene
Formula:C32H56N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z,25Z)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,25-diene is not a drug-like molecule.
| MolName | (6Z,25Z)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,25-diene |
| MolecularFormula | C32H56N2 |
| Smiles | C(C1)C2C3CC/C=C\CCCCCCCCN(C4)CC2CC4CCCC/C=C\CCCCN1C3 |
| InChI | InChI=1S/C32H56N2/c1-2-5-10-14-18-23-34-26-29-19-15-11-7-4-6-9-13-17-22-33-24-21-32(31(25-29)28-34)30(27-33)20-16-12-8-3-1/h4,6,8,12,29-32H,1-3,5,7,9-11,13-28H2 |
| InChIK | NJJKGPKLDNEHBE-UHFFFAOYSA-N |
| TotalMolweight | 468.811 |
| Molweight | 468.811 |
| MonoisotopicMass | 468.444348 |
| CLogP | 9.5366 |
| CLogS | -5.818 |
| H Acceptors | 2 |
| TotalSurfaceArea | 413.34 |
| Relative PSA | 0.017177 |
| PolarSurfaceArea | 6.48 |
| Druglikeness | -5.9116 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 4 |
| Rings Closures | 4 |
| Small Rings | 2 |
| Sp3Atoms | 30 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon | unknown chirality |
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1 - (6Z,25Z)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,25-diene | 2 - (6Z,25Z)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,25-diene
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