Drug Information

Drug ID:  NPD5793
Drug Name:  SKF-106610
Molecular Formula:  C23H44N2
Canonical SMILES:  CCCC1(CCC)CCC2(CC1)CCN(C2)CCCN1CCCCC1
Standard InCHI:  InChI=1S/C23H44N2/c1-3-9-22(10-4-2)11-13-23(14-12-22)15-20-25(21-23)19-8-18-24-16-6-5-7-17-24/h3-21H2,1-2H3
Standard InCHIKey:  FPYDSYNEQOHKET-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD5793

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.


  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

Similarity Level Similarity Score Natural Product ID
Intermediate Similarity 0.7885 NPC201713
Remote Similarity 0.6939 NPC471575
Remote Similarity 0.6939 NPC471440
Remote Similarity 0.6721 NPC21781
Remote Similarity 0.6379 NPC228980
Remote Similarity 0.6379 NPC243635
Remote Similarity 0.6379 NPC151004
Remote Similarity 0.6308 NPC53276
Remote Similarity 0.6212 NPC469970
Remote Similarity 0.6038 NPC15231
Remote Similarity 0.6032 NPC231129
Remote Similarity 0.6027 NPC7214
Remote Similarity 0.6 NPC473442
Remote Similarity 0.6 NPC120167
Remote Similarity 0.6 NPC472828
Remote Similarity 0.5942 NPC271640
Remote Similarity 0.5938 NPC82919
Remote Similarity 0.5897 NPC171639
Remote Similarity 0.5862 NPC153803
Remote Similarity 0.5857 NPC124384
Remote Similarity 0.5857 NPC245223
Remote Similarity 0.5769 NPC166030
Remote Similarity 0.5769 NPC326791
Remote Similarity 0.5753 NPC17770
Remote Similarity 0.5694 NPC21773
Remote Similarity 0.5694 NPC265789
Remote Similarity 0.5641 NPC118329
Remote Similarity 0.5641 NPC152039
Remote Similarity 0.5641 NPC474122
Remote Similarity 0.56 NPC25110

Drug Structure

External Identifiers

TTD   DIB013368
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  348.35
ALogP  -1.639
MLogP  3.77
XLogP  7.093
HDA  2
HBD  0
Rotatable Bonds  10
TPSA  6.48
RO5 Violation  1