Drug Information

Drug ID:  NPD9721
Drug Name:  Guanfacine Hydrochloride
Molecular Formula:  C9H9Cl2N3O.ClH
Canonical SMILES:  OC(=NC(=N)N)Cc1c(Cl)cccc1Cl.Cl
Standard InCHI:  InChI=1S/C9H9Cl2N3O.ClH/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13;/h1-3H,4H2,(H4,12,13,14,15);1H
Standard InCHIKey:  DGFYECXYGUIODH-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9721

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 0.7872 NPC192623
Intermediate Similarity 0.75 NPC471310
Intermediate Similarity 0.7282 NPC172128
Intermediate Similarity 0.7115 NPC258627
Remote Similarity 0.699 NPC198747
Remote Similarity 0.6931 NPC146703
Remote Similarity 0.6923 NPC325441
Remote Similarity 0.6923 NPC12429
Remote Similarity 0.6887 NPC226438
Remote Similarity 0.6857 NPC470877
Remote Similarity 0.6827 NPC471638
Remote Similarity 0.6807 NPC471318
Remote Similarity 0.6792 NPC74936
Remote Similarity 0.6792 NPC471307
Remote Similarity 0.6792 NPC159178
Remote Similarity 0.6792 NPC141139
Remote Similarity 0.6792 NPC316108
Remote Similarity 0.6792 NPC209764
Remote Similarity 0.6792 NPC78041
Remote Similarity 0.6792 NPC121872
Remote Similarity 0.6727 NPC33168
Remote Similarity 0.6701 NPC108218
Remote Similarity 0.6697 NPC303045
Remote Similarity 0.6697 NPC161972
Remote Similarity 0.6697 NPC58674
Remote Similarity 0.6667 NPC265521
Remote Similarity 0.6667 NPC107619
Remote Similarity 0.6636 NPC25565
Remote Similarity 0.6634 NPC309279
Remote Similarity 0.6633 NPC189371
Remote Similarity 0.6606 NPC471309
Remote Similarity 0.6583 NPC91452
Remote Similarity 0.6577 NPC473501
Remote Similarity 0.6577 NPC311242
Remote Similarity 0.6577 NPC475439
Remote Similarity 0.6495 NPC208302
Remote Similarity 0.6486 NPC3371
Remote Similarity 0.6475 NPC244403
Remote Similarity 0.6471 NPC313981
Remote Similarity 0.6466 NPC474559
Remote Similarity 0.6436 NPC224544
Remote Similarity 0.6435 NPC164859
Remote Similarity 0.6422 NPC245259
Remote Similarity 0.641 NPC327481
Remote Similarity 0.6387 NPC216122
Remote Similarity 0.6364 NPC323164
Remote Similarity 0.6348 NPC318154
Remote Similarity 0.6346 NPC14326
Remote Similarity 0.6303 NPC146096
Remote Similarity 0.6293 NPC178681
Remote Similarity 0.626 NPC470550
Remote Similarity 0.626 NPC205652
Remote Similarity 0.625 NPC20142
Remote Similarity 0.625 NPC133050
Remote Similarity 0.625 NPC117180
Remote Similarity 0.625 NPC215351
Remote Similarity 0.6239 NPC88267
Remote Similarity 0.6239 NPC194390
Remote Similarity 0.6239 NPC224610
Remote Similarity 0.6239 NPC324786
Remote Similarity 0.6239 NPC113326
Remote Similarity 0.6204 NPC211237
Remote Similarity 0.6198 NPC319579
Remote Similarity 0.619 NPC103326
Remote Similarity 0.619 NPC329319
Remote Similarity 0.619 NPC99394
Remote Similarity 0.619 NPC87299
Remote Similarity 0.6186 NPC211551
Remote Similarity 0.6176 NPC66655
Remote Similarity 0.6174 NPC12730
Remote Similarity 0.6168 NPC3210
Remote Similarity 0.6154 NPC178902
Remote Similarity 0.6154 NPC471317
Remote Similarity 0.6148 NPC329011
Remote Similarity 0.6134 NPC231705
Remote Similarity 0.6132 NPC285773
Remote Similarity 0.6132 NPC172984
Remote Similarity 0.6124 NPC42644
Remote Similarity 0.6116 NPC258056
Remote Similarity 0.6111 NPC203076
Remote Similarity 0.6098 NPC474584
Remote Similarity 0.6087 NPC290515
Remote Similarity 0.6087 NPC303611
Remote Similarity 0.6087 NPC315921
Remote Similarity 0.6087 NPC108606
Remote Similarity 0.6087 NPC226096
Remote Similarity 0.6087 NPC164514
Remote Similarity 0.6075 NPC304538
Remote Similarity 0.6075 NPC168855
Remote Similarity 0.6068 NPC327226
Remote Similarity 0.6066 NPC474149
Remote Similarity 0.6055 NPC473031
Remote Similarity 0.6047 NPC273830
Remote Similarity 0.6033 NPC153690
Remote Similarity 0.6019 NPC474354
Remote Similarity 0.6017 NPC291426
Remote Similarity 0.6017 NPC202613
Remote Similarity 0.6016 NPC283760
Remote Similarity 0.6 NPC127343
Remote Similarity 0.6 NPC184030
Remote Similarity 0.6 NPC164449
Remote Similarity 0.6 NPC118202
Remote Similarity 0.6 NPC328178
Remote Similarity 0.5969 NPC317564
Remote Similarity 0.5966 NPC147000
Remote Similarity 0.5966 NPC150254
Remote Similarity 0.5966 NPC304761
Remote Similarity 0.5966 NPC226778
Remote Similarity 0.5963 NPC474211
Remote Similarity 0.5963 NPC93843
Remote Similarity 0.5952 NPC197470
Remote Similarity 0.5952 NPC317254
Remote Similarity 0.595 NPC37584
Remote Similarity 0.595 NPC142297
Remote Similarity 0.592 NPC474544
Remote Similarity 0.592 NPC1986
Remote Similarity 0.5913 NPC471320
Remote Similarity 0.5913 NPC471319
Remote Similarity 0.5909 NPC155393
Remote Similarity 0.5909 NPC322387
Remote Similarity 0.5906 NPC82963
Remote Similarity 0.5906 NPC2265
Remote Similarity 0.5905 NPC170484
Remote Similarity 0.5902 NPC77294
Remote Similarity 0.5902 NPC96224
Remote Similarity 0.5902 NPC24101
Remote Similarity 0.5897 NPC125732
Remote Similarity 0.5896 NPC8058
Remote Similarity 0.5888 NPC73637
Remote Similarity 0.5888 NPC283012
Remote Similarity 0.5888 NPC475199
Remote Similarity 0.5888 NPC121478
Remote Similarity 0.5882 NPC68055
Remote Similarity 0.5877 NPC476483
Remote Similarity 0.5877 NPC7067
Remote Similarity 0.5862 NPC122493
Remote Similarity 0.5862 NPC10781
Remote Similarity 0.5862 NPC293628
Remote Similarity 0.5862 NPC324569
Remote Similarity 0.5862 NPC325499
Remote Similarity 0.5859 NPC311737
Remote Similarity 0.5859 NPC38458
Remote Similarity 0.5856 NPC23167
Remote Similarity 0.5856 NPC307235
Remote Similarity 0.5856 NPC262393
Remote Similarity 0.5856 NPC407
Remote Similarity 0.5856 NPC329064
Remote Similarity 0.5851 NPC119076
Remote Similarity 0.5849 NPC121800
Remote Similarity 0.5847 NPC469457
Remote Similarity 0.5847 NPC228400
Remote Similarity 0.5847 NPC214200
Remote Similarity 0.5846 NPC326232
Remote Similarity 0.5842 NPC155429
Remote Similarity 0.5833 NPC477770
Remote Similarity 0.5833 NPC44830
Remote Similarity 0.5827 NPC235421
Remote Similarity 0.5826 NPC108339
Remote Similarity 0.5818 NPC175313
Remote Similarity 0.5814 NPC314992
Remote Similarity 0.5806 NPC323007
Remote Similarity 0.5804 NPC27974
Remote Similarity 0.5804 NPC113460
Remote Similarity 0.5804 NPC25493
Remote Similarity 0.5804 NPC1793
Remote Similarity 0.5804 NPC199567
Remote Similarity 0.5802 NPC324702
Remote Similarity 0.5794 NPC276949
Remote Similarity 0.5794 NPC35850
Remote Similarity 0.5789 NPC322888
Remote Similarity 0.5784 NPC244738
Remote Similarity 0.5781 NPC147957
Remote Similarity 0.5776 NPC317400
Remote Similarity 0.5772 NPC114741
Remote Similarity 0.5772 NPC182549
Remote Similarity 0.5766 NPC246991
Remote Similarity 0.5766 NPC197783
Remote Similarity 0.576 NPC163674
Remote Similarity 0.576 NPC227553
Remote Similarity 0.5758 NPC27581
Remote Similarity 0.5755 NPC267237
Remote Similarity 0.5752 NPC177420
Remote Similarity 0.5752 NPC318325
Remote Similarity 0.5752 NPC274455
Remote Similarity 0.5752 NPC258219
Remote Similarity 0.5752 NPC78154
Remote Similarity 0.5752 NPC70940
Remote Similarity 0.5752 NPC280347
Remote Similarity 0.5752 NPC123273
Remote Similarity 0.5752 NPC86670
Remote Similarity 0.5752 NPC242240
Remote Similarity 0.5748 NPC142599
Remote Similarity 0.5748 NPC33742
Remote Similarity 0.5746 NPC474479
Remote Similarity 0.5743 NPC229235
Remote Similarity 0.5741 NPC323103
Remote Similarity 0.5741 NPC103387
Remote Similarity 0.5738 NPC474973
Remote Similarity 0.5738 NPC130898
Remote Similarity 0.5738 NPC474804

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  245.01
ALogP  0.8374
MLogP  1.79
XLogP  1.704
HDA  4
HBD  3
Rotatable Bonds  7
TPSA  82.46
RO5 Violation  0