Drug ID:   | NPD866 |
Drug Name:   | |
Molecular Formula:   | C12H20N4O2 |
Canonical SMILES:   | O=C(N1CCCCC1)/N=N/C(=O)N1CCCCC1 |
Standard InCHI:   | InChI=1S/C12H20N4O2/c17-11(15-7-3-1-4-8-15)13-14-12(18)16-9-5-2-6-10-16/h1-10H2/b14-13+ |
Standard InCHIKey:   | OQJBFFCUFALWQL-BUHFOSPRSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
Max Developmental Stage Source:   | TTD |
Similarity 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.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
Similarity Level | Similarity Score | Natural Product ID |
---|---|---|
Remote Similarity | 0.6667 | NPC292154 |
Molecular Weight   | 252.16 |
ALogP   | -2.937 |
MLogP   | 2.12 |
XLogP   | 0.484 |
HDA   | 6 |
HBD   | 0 |
Rotatable Bonds   | 4 |
TPSA   | 65.34 |
RO5 Violation   | 0 |