Drug Information

Drug ID:  NPD7059
Drug Name:  Buclizine Hydrochloride
Molecular Formula:  C28H33ClN2.ClH
Canonical SMILES:  Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1ccc(cc1)C(C)(C)C.Cl
Standard InCHI:  InChI=1S/C28H33ClN2.ClH/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24;/h4-16,27H,17-21H2,1-3H3;1H
Standard InCHIKey:  BFUBEWDYLSDZEV-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7059

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 0.7757 NPC470926
Intermediate Similarity 0.7611 NPC239854
Intermediate Similarity 0.7565 NPC474695
Intermediate Similarity 0.7339 NPC320656
Intermediate Similarity 0.7232 NPC329430
Intermediate Similarity 0.7069 NPC474582
Intermediate Similarity 0.7009 NPC104070
Remote Similarity 0.6912 NPC313352
Remote Similarity 0.6884 NPC316906
Remote Similarity 0.6864 NPC291610
Remote Similarity 0.6803 NPC77294
Remote Similarity 0.6697 NPC119677
Remote Similarity 0.6667 NPC231986
Remote Similarity 0.6667 NPC271642
Remote Similarity 0.6667 NPC471310
Remote Similarity 0.6636 NPC169016
Remote Similarity 0.6571 NPC98976
Remote Similarity 0.6557 NPC473418
Remote Similarity 0.6538 NPC264580
Remote Similarity 0.6518 NPC258046
Remote Similarity 0.6515 NPC475915
Remote Similarity 0.6484 NPC246904
Remote Similarity 0.646 NPC60408
Remote Similarity 0.6444 NPC79698
Remote Similarity 0.641 NPC322040
Remote Similarity 0.6389 NPC315348
Remote Similarity 0.6389 NPC32002
Remote Similarity 0.635 NPC478079
Remote Similarity 0.6308 NPC473573
Remote Similarity 0.629 NPC474559
Remote Similarity 0.6277 NPC252794
Remote Similarity 0.6269 NPC314192
Remote Similarity 0.6239 NPC12857
Remote Similarity 0.6224 NPC325599
Remote Similarity 0.6214 NPC126458
Remote Similarity 0.617 NPC473962
Remote Similarity 0.616 NPC167336
Remote Similarity 0.6147 NPC290638
Remote Similarity 0.6147 NPC325662
Remote Similarity 0.6147 NPC98269
Remote Similarity 0.6115 NPC469949
Remote Similarity 0.6107 NPC471318
Remote Similarity 0.609 NPC192209
Remote Similarity 0.609 NPC313449
Remote Similarity 0.6053 NPC133162
Remote Similarity 0.6036 NPC159661
Remote Similarity 0.6033 NPC471320
Remote Similarity 0.6033 NPC471319
Remote Similarity 0.6 NPC3190
Remote Similarity 0.6 NPC249018
Remote Similarity 0.5982 NPC315216
Remote Similarity 0.5969 NPC292758
Remote Similarity 0.5969 NPC65855
Remote Similarity 0.5963 NPC276699
Remote Similarity 0.596 NPC469735
Remote Similarity 0.595 NPC108339
Remote Similarity 0.5944 NPC53044
Remote Similarity 0.5921 NPC469740
Remote Similarity 0.5915 NPC9856
Remote Similarity 0.5909 NPC296163
Remote Similarity 0.5909 NPC187036
Remote Similarity 0.5909 NPC139658
Remote Similarity 0.5897 NPC17497
Remote Similarity 0.5897 NPC305602
Remote Similarity 0.5874 NPC126859
Remote Similarity 0.5874 NPC259665
Remote Similarity 0.5874 NPC89769
Remote Similarity 0.5872 NPC113000
Remote Similarity 0.5872 NPC112609
Remote Similarity 0.5872 NPC122327
Remote Similarity 0.587 NPC109151
Remote Similarity 0.5868 NPC469330
Remote Similarity 0.5865 NPC113099
Remote Similarity 0.5845 NPC40488
Remote Similarity 0.5839 NPC317564
Remote Similarity 0.5828 NPC20144
Remote Similarity 0.5827 NPC469974
Remote Similarity 0.5818 NPC307195
Remote Similarity 0.5814 NPC434
Remote Similarity 0.5814 NPC79618
Remote Similarity 0.581 NPC178527
Remote Similarity 0.5806 NPC206592
Remote Similarity 0.5806 NPC66936
Remote Similarity 0.5804 NPC245896
Remote Similarity 0.5804 NPC473417
Remote Similarity 0.5804 NPC66270
Remote Similarity 0.5804 NPC124802
Remote Similarity 0.5793 NPC313663
Remote Similarity 0.5778 NPC470544
Remote Similarity 0.5778 NPC313673
Remote Similarity 0.5775 NPC145754
Remote Similarity 0.5769 NPC302790
Remote Similarity 0.5763 NPC473031
Remote Similarity 0.5759 NPC476464
Remote Similarity 0.5755 NPC267443
Remote Similarity 0.575 NPC121872
Remote Similarity 0.575 NPC191444
Remote Similarity 0.575 NPC141139
Remote Similarity 0.575 NPC74936
Remote Similarity 0.575 NPC159178
Remote Similarity 0.575 NPC209764
Remote Similarity 0.575 NPC78041
Remote Similarity 0.575 NPC471307
Remote Similarity 0.5741 NPC219246
Remote Similarity 0.5735 NPC470545
Remote Similarity 0.5734 NPC8305
Remote Similarity 0.5734 NPC268763
Remote Similarity 0.5734 NPC66177
Remote Similarity 0.5733 NPC186284
Remote Similarity 0.5733 NPC22082
Remote Similarity 0.5727 NPC299134
Remote Similarity 0.5727 NPC258492
Remote Similarity 0.5727 NPC96835
Remote Similarity 0.5726 NPC311242
Remote Similarity 0.5714 NPC30445
Remote Similarity 0.5714 NPC12429
Remote Similarity 0.5704 NPC288232
Remote Similarity 0.5702 NPC50063
Remote Similarity 0.5695 NPC470925
Remote Similarity 0.5693 NPC470546
Remote Similarity 0.5693 NPC220698
Remote Similarity 0.569 NPC474088
Remote Similarity 0.5687 NPC477591
Remote Similarity 0.5686 NPC116519
Remote Similarity 0.5678 NPC203076
Remote Similarity 0.5677 NPC109787
Remote Similarity 0.5677 NPC90844
Remote Similarity 0.5677 NPC144863
Remote Similarity 0.5677 NPC253883
Remote Similarity 0.5677 NPC95075
Remote Similarity 0.5667 NPC176858
Remote Similarity 0.5667 NPC243162
Remote Similarity 0.5667 NPC130251
Remote Similarity 0.5667 NPC470877
Remote Similarity 0.5656 NPC473661
Remote Similarity 0.5646 NPC325568
Remote Similarity 0.5636 NPC116961
Remote Similarity 0.5636 NPC244738
Remote Similarity 0.5636 NPC54269
Remote Similarity 0.5625 NPC111428
Remote Similarity 0.5625 NPC222029
Remote Similarity 0.5625 NPC473322
Remote Similarity 0.5612 NPC316582
Remote Similarity 0.561 NPC471309
Remote Similarity 0.5606 NPC158854
Remote Similarity 0.5605 NPC219162
Remote Similarity 0.5605 NPC92541
Remote Similarity 0.56 NPC314102
Remote Similarity 0.56 NPC251722

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  432.23
ALogP  2.3345
MLogP  4.21
XLogP  9.936
HDA  2
HBD  0
Rotatable Bonds  10
TPSA  6.48
RO5 Violation  1