Drug ID:   | NPD346 |
Drug Name:   | Amantadine Hydrochloride |
Molecular Formula:   | C10H17N.ClH |
Canonical SMILES:   | NC12CC3CC(C2)CC(C1)C3.Cl |
Standard InCHI:   | InChI=1S/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H |
Standard InCHIKey:   | WOLHOYHSEKDWQH-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
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 | 0.6863 | NPC212905 |
Remote Similarity | 0.6364 | NPC318036 |
Remote Similarity | 0.625 | NPC173815 |
Remote Similarity | 0.6167 | NPC53276 |
Remote Similarity | 0.6154 | NPC7777 |
Remote Similarity | 0.614 | NPC324944 |
Remote Similarity | 0.6066 | NPC469970 |
Remote Similarity | 0.6 | NPC181141 |
Remote Similarity | 0.5932 | NPC317778 |
Remote Similarity | 0.5849 | NPC472829 |
Remote Similarity | 0.5781 | NPC271640 |
Remote Similarity | 0.5763 | NPC21781 |
Remote Similarity | 0.575 | NPC133792 |
Remote Similarity | 0.5738 | NPC89921 |
Remote Similarity | 0.5738 | NPC474027 |
Remote Similarity | 0.5738 | NPC474435 |
Remote Similarity | 0.5738 | NPC475755 |
Molecular Weight   | 151.14 |
ALogP   | -1.5787 |
MLogP   | 2.45 |
XLogP   | 2.312 |
HDA   | 1 |
HBD   | 1 |
Rotatable Bonds   | 1 |
TPSA   | 26.02 |
RO5 Violation   | 0 |