Drug ID:   | NPD627 |
Drug Name:   | Mecamylamine |
Molecular Formula:   | C11H21N |
Canonical SMILES:   | CNC1(C)C2CCC(C1(C)C)C2 |
Standard InCHI:   | InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3 |
Standard InCHIKey:   | IMYZQPCYWPFTAG-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
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 | 0.697 | NPC469970 |
Remote Similarity | 0.6912 | NPC271640 |
Remote Similarity | 0.6818 | NPC53276 |
Remote Similarity | 0.6786 | NPC181141 |
Remote Similarity | 0.6557 | NPC472828 |
Remote Similarity | 0.6515 | NPC477739 |
Remote Similarity | 0.6212 | NPC21781 |
Remote Similarity | 0.6071 | NPC15231 |
Remote Similarity | 0.6053 | NPC25110 |
Remote Similarity | 0.6032 | NPC475272 |
Remote Similarity | 0.5875 | NPC329782 |
Remote Similarity | 0.5844 | NPC174803 |
Remote Similarity | 0.5844 | NPC259989 |
Remote Similarity | 0.5806 | NPC201713 |
Remote Similarity | 0.5802 | NPC472312 |
Remote Similarity | 0.5714 | NPC477740 |
Remote Similarity | 0.5679 | NPC118329 |
Remote Similarity | 0.5679 | NPC152039 |
Remote Similarity | 0.5625 | NPC211322 |
Molecular Weight   | 167.17 |
ALogP   | 0.7121 |
MLogP   | 2.56 |
XLogP   | 2.657 |
HDA   | 1 |
HBD   | 1 |
Rotatable Bonds   | 5 |
TPSA   | 12.03 |
RO5 Violation   | 0 |