Drug Information

Drug ID:  NPD523
Drug Name:  Lorcaserin Hydrochloride
Molecular Formula:  C11H14ClN.ClH
Canonical SMILES:  Clc1ccc2c(c1)[C@@H](C)CNCC2.Cl
Standard InCHI:  InChI=1S/C11H14ClN.ClH/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9;/h2-3,6,8,13H,4-5,7H2,1H3;1H/t8-;/m0./s1
Standard InCHIKey:  ITIHHRMYZPNGRC-QRPNPIFTSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD523

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 0.7719 NPC320656
Intermediate Similarity 0.7609 NPC139658
Intermediate Similarity 0.7374 NPC258046
Intermediate Similarity 0.7347 NPC133162
Intermediate Similarity 0.7143 NPC77294
Intermediate Similarity 0.7128 NPC276699
Intermediate Similarity 0.7083 NPC12857
Intermediate Similarity 0.7069 NPC113099
Intermediate Similarity 0.7065 NPC229235
Intermediate Similarity 0.7027 NPC474559
Intermediate Similarity 0.7021 NPC122327
Intermediate Similarity 0.7021 NPC112609
Intermediate Similarity 0.7021 NPC113000
Intermediate Similarity 0.7 NPC169016
Remote Similarity 0.6981 NPC329430
Remote Similarity 0.6979 NPC290638
Remote Similarity 0.69 NPC104070
Remote Similarity 0.687 NPC313981
Remote Similarity 0.6804 NPC98269
Remote Similarity 0.6804 NPC325662
Remote Similarity 0.6635 NPC60408
Remote Similarity 0.6598 NPC98976
Remote Similarity 0.6574 NPC469330
Remote Similarity 0.6549 NPC471310
Remote Similarity 0.6542 NPC470926
Remote Similarity 0.6535 NPC231986
Remote Similarity 0.6531 NPC271642
Remote Similarity 0.6526 NPC219246
Remote Similarity 0.6422 NPC322040
Remote Similarity 0.6422 NPC7067
Remote Similarity 0.6408 NPC119677
Remote Similarity 0.6392 NPC244738
Remote Similarity 0.6344 NPC155172
Remote Similarity 0.625 NPC474088
Remote Similarity 0.6196 NPC238023
Remote Similarity 0.6196 NPC135924
Remote Similarity 0.6196 NPC310758
Remote Similarity 0.6161 NPC471319
Remote Similarity 0.6161 NPC471320
Remote Similarity 0.6129 NPC313673
Remote Similarity 0.6111 NPC12429
Remote Similarity 0.6082 NPC200936
Remote Similarity 0.6074 NPC313352
Remote Similarity 0.6064 NPC88566
Remote Similarity 0.6042 NPC6107
Remote Similarity 0.604 NPC110264
Remote Similarity 0.6034 NPC239854
Remote Similarity 0.6034 NPC327226
Remote Similarity 0.6 NPC32312
Remote Similarity 0.6 NPC299134
Remote Similarity 0.6 NPC198023
Remote Similarity 0.5968 NPC471318
Remote Similarity 0.5963 NPC30445
Remote Similarity 0.5957 NPC71009
Remote Similarity 0.5957 NPC66517
Remote Similarity 0.5957 NPC29680
Remote Similarity 0.5948 NPC474582
Remote Similarity 0.5938 NPC113837
Remote Similarity 0.5938 NPC289915
Remote Similarity 0.5932 NPC150254
Remote Similarity 0.5932 NPC226778
Remote Similarity 0.5932 NPC147000
Remote Similarity 0.5932 NPC275467
Remote Similarity 0.5932 NPC304761
Remote Similarity 0.5929 NPC108339
Remote Similarity 0.5918 NPC246822
Remote Similarity 0.5918 NPC213570
Remote Similarity 0.5918 NPC139416
Remote Similarity 0.59 NPC54269
Remote Similarity 0.5895 NPC45756
Remote Similarity 0.5895 NPC21211
Remote Similarity 0.5893 NPC473661
Remote Similarity 0.5882 NPC474695
Remote Similarity 0.5882 NPC67043
Remote Similarity 0.587 NPC65873
Remote Similarity 0.587 NPC120441
Remote Similarity 0.587 NPC300345
Remote Similarity 0.587 NPC212114
Remote Similarity 0.5851 NPC54368
Remote Similarity 0.5851 NPC150196
Remote Similarity 0.5851 NPC200624
Remote Similarity 0.5851 NPC248705
Remote Similarity 0.5851 NPC210849
Remote Similarity 0.5841 NPC291070
Remote Similarity 0.5841 NPC246757
Remote Similarity 0.5833 NPC291066
Remote Similarity 0.582 NPC24777
Remote Similarity 0.5814 NPC317564
Remote Similarity 0.58 NPC280135
Remote Similarity 0.58 NPC193578
Remote Similarity 0.58 NPC226999
Remote Similarity 0.58 NPC158028
Remote Similarity 0.58 NPC1008
Remote Similarity 0.58 NPC135433
Remote Similarity 0.58 NPC87099
Remote Similarity 0.58 NPC39799
Remote Similarity 0.5773 NPC178527
Remote Similarity 0.5769 NPC475915
Remote Similarity 0.5766 NPC176858
Remote Similarity 0.5761 NPC269586
Remote Similarity 0.5761 NPC198841
Remote Similarity 0.5752 NPC108800
Remote Similarity 0.5745 NPC147062
Remote Similarity 0.5729 NPC113670
Remote Similarity 0.5729 NPC50266
Remote Similarity 0.5727 NPC305602
Remote Similarity 0.5727 NPC17497
Remote Similarity 0.5727 NPC473031
Remote Similarity 0.5714 NPC267443
Remote Similarity 0.5714 NPC191444
Remote Similarity 0.5701 NPC14326
Remote Similarity 0.57 NPC263385
Remote Similarity 0.57 NPC251490
Remote Similarity 0.57 NPC72670
Remote Similarity 0.5684 NPC246588
Remote Similarity 0.5676 NPC111233
Remote Similarity 0.5673 NPC3190
Remote Similarity 0.5673 NPC249018
Remote Similarity 0.566 NPC475289
Remote Similarity 0.566 NPC475573
Remote Similarity 0.5656 NPC79618
Remote Similarity 0.5656 NPC434
Remote Similarity 0.5652 NPC277704
Remote Similarity 0.5652 NPC20142
Remote Similarity 0.5652 NPC215351
Remote Similarity 0.5652 NPC149436
Remote Similarity 0.5643 NPC325599
Remote Similarity 0.5641 NPC226096
Remote Similarity 0.5641 NPC108606
Remote Similarity 0.5641 NPC164514
Remote Similarity 0.5641 NPC290515
Remote Similarity 0.5641 NPC303611
Remote Similarity 0.5638 NPC8235
Remote Similarity 0.5638 NPC64270
Remote Similarity 0.5636 NPC203076
Remote Similarity 0.5631 NPC307195
Remote Similarity 0.5625 NPC470877
Remote Similarity 0.5625 NPC476454
Remote Similarity 0.562 NPC474910
Remote Similarity 0.5603 NPC316906
Remote Similarity 0.56 NPC297358

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  195.08
ALogP  0.7361
MLogP  2.45
XLogP  2.687
HDA  1
HBD  1
Rotatable Bonds  2
TPSA  12.03
RO5 Violation  0