(4R,4aS,7R,7aR,12bS)-7-azido-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Formula:C20H24N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4R,4aS,7R,7aR,12bS)-7-azido-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol is a drug-like molecule.
| MolName | (4R,4aS,7R,7aR,12bS)-7-azido-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol |
| MolecularFormula | C20H24N4O3 |
| Smiles | [N-]=[N+]=N[C@H](CC[C@@]([C@@H](C1)N(CC2CC2)CC2)([C@@]22c3c1cc1)O)[C@@H]2Oc3c1O |
| InChI | InChI=1S/C20H24N4O3/c21-23-22-13-5-6-20(26)15-9-12-3-4-14(25)17-16(12)19(20,18(13)27-17)7-8-24(15)10-11-1-2-11/h3-4,11,13,15,18,25-26H,1-2,5-10H2/t13-,15+,18+,19+,20-/m1/s1 |
| InChIK | JDCYLSNERKRAJA-BWFCJQBJSA-N |
| TotalMolweight | 368.436 |
| Molweight | 368.436 |
| MonoisotopicMass | 368.184841 |
| CLogP | 1.6646 |
| CLogS | -3.472 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 250.3 |
| Relative PSA | 0.30819 |
| PolarSurfaceArea | 78.89 |
| Druglikeness | 3.1229 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 18 |
| Symmetricatoms | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4R,4aS,7R,7aR,12bS)-7-azido-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol | 2 - (4R,4aS,7R,7aR,12bS)-7-azido-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
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