Drug Information

Drug ID:  NPD469
Drug Name:  Lofexidine Hydrochloride
Molecular Formula:  C11H12Cl2N2O.ClH
Canonical SMILES:  CC(C1=NCCN1)Oc1c(Cl)cccc1Cl.Cl
Standard InCHI:  InChI=1S/C11H12Cl2N2O.ClH/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13;/h2-4,7H,5-6H2,1H3,(H,14,15);1H
Standard InCHIKey:  DWWHMKBNNNZGHF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD469

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
Remote Similarity 0.6567 NPC313918
Remote Similarity 0.6552 NPC161768
Remote Similarity 0.646 NPC142803
Remote Similarity 0.6452 NPC247018
Remote Similarity 0.6452 NPC307123
Remote Similarity 0.6452 NPC97870
Remote Similarity 0.6294 NPC95977
Remote Similarity 0.6284 NPC204617
Remote Similarity 0.6269 NPC194699
Remote Similarity 0.6269 NPC219350
Remote Similarity 0.6169 NPC320242
Remote Similarity 0.6169 NPC136112
Remote Similarity 0.6169 NPC141739
Remote Similarity 0.6144 NPC255253
Remote Similarity 0.6142 NPC277306
Remote Similarity 0.6142 NPC469442
Remote Similarity 0.608 NPC25539
Remote Similarity 0.6043 NPC470728
Remote Similarity 0.6038 NPC274732
Remote Similarity 0.5978 NPC49315
Remote Similarity 0.5949 NPC471321
Remote Similarity 0.5949 NPC471306
Remote Similarity 0.5948 NPC205213
Remote Similarity 0.5935 NPC328267
Remote Similarity 0.5909 NPC475998
Remote Similarity 0.5904 NPC51047
Remote Similarity 0.5903 NPC41594
Remote Similarity 0.5897 NPC235370
Remote Similarity 0.5839 NPC26524
Remote Similarity 0.5795 NPC469443
Remote Similarity 0.5783 NPC189724
Remote Similarity 0.5783 NPC212850
Remote Similarity 0.5783 NPC83289
Remote Similarity 0.5778 NPC151030
Remote Similarity 0.5778 NPC269383
Remote Similarity 0.5763 NPC22014
Remote Similarity 0.5758 NPC318591
Remote Similarity 0.5758 NPC231163
Remote Similarity 0.5753 NPC86678
Remote Similarity 0.5741 NPC471953
Remote Similarity 0.5732 NPC237227
Remote Similarity 0.5724 NPC42383
Remote Similarity 0.5714 NPC256369
Remote Similarity 0.5677 NPC263835
Remote Similarity 0.5676 NPC24777
Remote Similarity 0.5669 NPC90577
Remote Similarity 0.5655 NPC204546
Remote Similarity 0.5647 NPC247298
Remote Similarity 0.5647 NPC473874
Remote Similarity 0.5646 NPC186469
Remote Similarity 0.5636 NPC470471
Remote Similarity 0.5625 NPC8058
Remote Similarity 0.5625 NPC233926
Remote Similarity 0.5622 NPC220060
Remote Similarity 0.5617 NPC246991
Remote Similarity 0.5612 NPC322888
Remote Similarity 0.5608 NPC97811
Remote Similarity 0.56 NPC166837

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  258.03
ALogP  0.5511
MLogP  2.12
XLogP  2.502
HDA  2
HBD  1
Rotatable Bonds  6
TPSA  33.62
RO5 Violation  0