Drug Information| Drug ID: | NPD860 |
| Drug Name: | cobalt chelate complex (keratoconjunctivitis/keratitis), OPKO |
| Molecular Formula: | C12H20N2O2 |
| Canonical SMILES: | C/C(=NCC/N=C(/C=C(/C)[O-])C)/C=C(/C)[O-] |
| Standard InCHI: | InChI=1S/C12H20N2O2/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16/h7-8,15-16H,5-6H2,1-4H3/p-2/b11-7-,12-8-,13-9+,14-10+ |
| Standard InCHIKey: | JDMZLGCGEHFWPX-DUKOTNSLSA-L |
| Max Developmental Stage: | Phase 2 |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD860Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient 
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
| TTD | DIB010769 |
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| Molecular Weight | 222.14 |
| ALogP | -1.4972 |
| MLogP | 2.34 |
| XLogP | 0.952 |
| HDA | 4 |
| HBD | 0 |
| Rotatable Bonds | 11 |
| TPSA | 70.84 |
| RO5 Violation | 0 |