3-[(1-amino-7-benzyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-5-yl)amino]propan-1-ol
Formula:C19H26N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(1-amino-7-benzyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-5-yl)amino]propan-1-ol is not a drug-like molecule.
| MolName | 3-[(1-amino-7-benzyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-5-yl)amino]propan-1-ol |
| MolecularFormula | C19H26N6O |
| Smiles | Nc1c2c(CC[NH+](Cc3ccccc3)C3)c3c(NCCCO)[nH+]c2n[nH]1 |
| InChI | InChI=1S/C19H24N6O/c20-17-16-14-7-9-25(11-13-5-2-1-3-6-13)12-15(14)18(21-8-4-10-26)22-19(16)24-23-17/h1-3,5-6,26H,4,7-12H2,(H4,20,21,22,23,24)/p+2 |
| InChIK | NSKPPFYAMWOXDO-UHFFFAOYSA-P |
| TotalMolweight | 354.456 |
| Molweight | 354.456 |
| MonoisotopicMass | 354.216809 |
| CLogP | -3.1921 |
| CLogS | -4.175 |
| H Acceptors | 7 |
| H Donors | 6 |
| TotalSurfaceArea | 277.23 |
| Relative PSA | 0.29715 |
| PolarSurfaceArea | 105.54 |
| Druglikeness | 1.0987 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 3-[(1-amino-7-benzyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-5-yl)amino]propan-1-ol | 2 - 3-[(1-amino-7-benzyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-5-yl)amino]propan-1-ol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off