Drug ID:   | NPD1672 |
Drug Name:   | Tipepidine |
Molecular Formula:   | C15H17NS2 |
Canonical SMILES:   | CN1CCCC(=C(c2cccs2)c2cccs2)C1 |
Standard InCHI:   | InChI=1S/C15H17NS2/c1-16-8-2-5-12(11-16)15(13-6-3-9-17-13)14-7-4-10-18-14/h3-4,6-7,9-10H,2,5,8,11H2,1H3 |
Standard InCHIKey:   | JWIXXNLOKOAAQT-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 2 |
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 |
---|---|---|
Intermediate Similarity | 0.7573 | NPC120203 |
Intermediate Similarity | 0.7527 | NPC8981 |
Intermediate Similarity | 0.7447 | NPC195713 |
Remote Similarity | 0.6944 | NPC11466 |
Remote Similarity | 0.6731 | NPC166487 |
Remote Similarity | 0.6698 | NPC300455 |
Remote Similarity | 0.6667 | NPC105991 |
Remote Similarity | 0.6574 | NPC175376 |
Remote Similarity | 0.6505 | NPC148231 |
Remote Similarity | 0.6449 | NPC473661 |
Remote Similarity | 0.6421 | NPC470796 |
Remote Similarity | 0.6337 | NPC231986 |
Remote Similarity | 0.6337 | NPC471376 |
Remote Similarity | 0.6283 | NPC472171 |
Remote Similarity | 0.6228 | NPC472172 |
Remote Similarity | 0.6214 | NPC104070 |
Remote Similarity | 0.6214 | NPC474088 |
Remote Similarity | 0.6174 | NPC469974 |
Remote Similarity | 0.6162 | NPC271642 |
Remote Similarity | 0.6146 | NPC470795 |
Remote Similarity | 0.614 | NPC173019 |
Remote Similarity | 0.614 | NPC24122 |
Remote Similarity | 0.6061 | NPC98976 |
Remote Similarity | 0.6055 | NPC470926 |
Remote Similarity | 0.6022 | NPC22627 |
Remote Similarity | 0.602 | NPC244738 |
Remote Similarity | 0.5882 | NPC299367 |
Remote Similarity | 0.5876 | NPC5324 |
Remote Similarity | 0.5849 | NPC169016 |
Remote Similarity | 0.5842 | NPC139658 |
Remote Similarity | 0.5833 | NPC17497 |
Remote Similarity | 0.5833 | NPC53492 |
Remote Similarity | 0.5833 | NPC305602 |
Remote Similarity | 0.5833 | NPC52330 |
Remote Similarity | 0.58 | NPC299134 |
Remote Similarity | 0.5785 | NPC190955 |
Remote Similarity | 0.5769 | NPC475573 |
Remote Similarity | 0.5769 | NPC475289 |
Remote Similarity | 0.5763 | NPC472170 |
Remote Similarity | 0.5755 | NPC307163 |
Remote Similarity | 0.5741 | NPC258046 |
Remote Similarity | 0.5728 | NPC12857 |
Remote Similarity | 0.568 | NPC221877 |
Remote Similarity | 0.568 | NPC32356 |
Remote Similarity | 0.5652 | NPC469807 |
Remote Similarity | 0.563 | NPC328877 |
Remote Similarity | 0.563 | NPC473417 |
Remote Similarity | 0.5614 | NPC329430 |
Remote Similarity | 0.5607 | NPC472169 |
Molecular Weight   | 275.08 |
ALogP   | 1.1709 |
MLogP   | 2.78 |
XLogP   | 3.543 |
HDA   | 1 |
HBD   | 0 |
Rotatable Bonds   | 3 |
TPSA   | 59.72 |
RO5 Violation   | 0 |