Drug Information

Drug ID:  NPD2561
Drug Name:  Ritodrine Hydrochloride
Molecular Formula:  C17H21NO3.ClH
Canonical SMILES:  Oc1ccc(cc1)CCN[C@H]([C@@H](c1ccc(cc1)O)O)C.Cl
Standard InCHI:  InChI=1S/C17H21NO3.ClH/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13;/h2-9,12,17-21H,10-11H2,1H3;1H/t12-,17-;/m0./s1
Standard InCHIKey:  IDLSITKDRVDKRV-XHXSRVRCSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2561

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
High Similarity 0.9304 NPC10286
High Similarity 0.9304 NPC213
High Similarity 0.9091 NPC307020
High Similarity 0.8783 NPC145638
High Similarity 0.8783 NPC290566
High Similarity 0.8512 NPC137096
Intermediate Similarity 0.8425 NPC236347
Intermediate Similarity 0.8425 NPC323775
Intermediate Similarity 0.8425 NPC322366
Intermediate Similarity 0.8348 NPC226778
Intermediate Similarity 0.8348 NPC147000
Intermediate Similarity 0.8348 NPC304761
Intermediate Similarity 0.8348 NPC150254
Intermediate Similarity 0.8222 NPC168861
Intermediate Similarity 0.8174 NPC327226
Intermediate Similarity 0.8106 NPC208757
Intermediate Similarity 0.808 NPC283760
Intermediate Similarity 0.8074 NPC214988
Intermediate Similarity 0.8016 NPC169207
Intermediate Similarity 0.8016 NPC115627
Intermediate Similarity 0.8016 NPC118522
Intermediate Similarity 0.8 NPC125732
Intermediate Similarity 0.7984 NPC95733
Intermediate Similarity 0.7984 NPC82963
Intermediate Similarity 0.7984 NPC62101
Intermediate Similarity 0.7931 NPC228400
Intermediate Similarity 0.7931 NPC214200
Intermediate Similarity 0.7931 NPC289381
Intermediate Similarity 0.7931 NPC155847
Intermediate Similarity 0.7923 NPC29477
Intermediate Similarity 0.7923 NPC320242
Intermediate Similarity 0.792 NPC311737
Intermediate Similarity 0.792 NPC38458
Intermediate Similarity 0.7917 NPC96224
Intermediate Similarity 0.7917 NPC24101
Intermediate Similarity 0.7913 NPC108606
Intermediate Similarity 0.7913 NPC226096
Intermediate Similarity 0.7913 NPC164514
Intermediate Similarity 0.7913 NPC303611
Intermediate Similarity 0.7913 NPC290515
Intermediate Similarity 0.791 NPC267237
Intermediate Similarity 0.7857 NPC85276
Intermediate Similarity 0.7851 NPC292758
Intermediate Similarity 0.7851 NPC65855
Intermediate Similarity 0.7845 NPC132078
Intermediate Similarity 0.7845 NPC51333
Intermediate Similarity 0.7845 NPC78119
Intermediate Similarity 0.7845 NPC216468
Intermediate Similarity 0.7823 NPC118202
Intermediate Similarity 0.7786 NPC318965
Intermediate Similarity 0.7778 NPC213730
Intermediate Similarity 0.7769 NPC153690
Intermediate Similarity 0.7769 NPC211218
Intermediate Similarity 0.7761 NPC326966
Intermediate Similarity 0.776 NPC317254
Intermediate Similarity 0.7752 NPC474862
Intermediate Similarity 0.775 NPC231705
Intermediate Similarity 0.7744 NPC325651
Intermediate Similarity 0.7739 NPC313650
Intermediate Similarity 0.7712 NPC7686
Intermediate Similarity 0.7712 NPC40258
Intermediate Similarity 0.7712 NPC91461
Intermediate Similarity 0.7705 NPC258056
Intermediate Similarity 0.7704 NPC97870
Intermediate Similarity 0.7704 NPC247018
Intermediate Similarity 0.7704 NPC307123
Intermediate Similarity 0.7704 NPC149379
Intermediate Similarity 0.7698 NPC188867
Intermediate Similarity 0.7698 NPC106551
Intermediate Similarity 0.7698 NPC281686
Intermediate Similarity 0.7686 NPC142297
Intermediate Similarity 0.7667 NPC154899
Intermediate Similarity 0.7667 NPC233396
Intermediate Similarity 0.7664 NPC64205
Intermediate Similarity 0.7652 NPC136112
Intermediate Similarity 0.7652 NPC20142
Intermediate Similarity 0.7652 NPC215351
Intermediate Similarity 0.7652 NPC141739
Intermediate Similarity 0.7647 NPC178902
Intermediate Similarity 0.7647 NPC68055
Intermediate Similarity 0.7643 NPC204546
Intermediate Similarity 0.7642 NPC474149
Intermediate Similarity 0.7634 NPC328267
Intermediate Similarity 0.7626 NPC170170
Intermediate Similarity 0.7626 NPC211468
Intermediate Similarity 0.7626 NPC219233
Intermediate Similarity 0.7612 NPC271808
Intermediate Similarity 0.7603 NPC135464
Intermediate Similarity 0.7603 NPC92623
Intermediate Similarity 0.7586 NPC26244
Intermediate Similarity 0.7571 NPC323123
Intermediate Similarity 0.7565 NPC138117
Intermediate Similarity 0.7565 NPC325292
Intermediate Similarity 0.7561 NPC24777
Intermediate Similarity 0.7554 NPC318591
Intermediate Similarity 0.7554 NPC231163
Intermediate Similarity 0.7521 NPC473388
Intermediate Similarity 0.7521 NPC211551
Intermediate Similarity 0.752 NPC146422
Intermediate Similarity 0.7519 NPC43275
Intermediate Similarity 0.7519 NPC239697
Intermediate Similarity 0.75 NPC257390
Intermediate Similarity 0.75 NPC329595
Intermediate Similarity 0.75 NPC475018
Intermediate Similarity 0.75 NPC326599
Intermediate Similarity 0.75 NPC151715
Intermediate Similarity 0.748 NPC97811
Intermediate Similarity 0.7479 NPC294741
Intermediate Similarity 0.7479 NPC29601
Intermediate Similarity 0.7464 NPC470441
Intermediate Similarity 0.7463 NPC218323
Intermediate Similarity 0.7462 NPC321133
Intermediate Similarity 0.746 NPC26524
Intermediate Similarity 0.7447 NPC469360
Intermediate Similarity 0.7445 NPC302171
Intermediate Similarity 0.7445 NPC33338
Intermediate Similarity 0.7445 NPC300020
Intermediate Similarity 0.7429 NPC41473
Intermediate Similarity 0.7429 NPC312770
Intermediate Similarity 0.7429 NPC204848
Intermediate Similarity 0.7429 NPC160607
Intermediate Similarity 0.7429 NPC14600
Intermediate Similarity 0.7426 NPC126859
Intermediate Similarity 0.7426 NPC89769
Intermediate Similarity 0.7426 NPC259665
Intermediate Similarity 0.7419 NPC265211
Intermediate Similarity 0.7419 NPC306045
Intermediate Similarity 0.741 NPC237227
Intermediate Similarity 0.7407 NPC66177
Intermediate Similarity 0.7407 NPC268763
Intermediate Similarity 0.7407 NPC8305
Intermediate Similarity 0.7402 NPC12656
Intermediate Similarity 0.74 NPC160931
Intermediate Similarity 0.74 NPC37205
Intermediate Similarity 0.7391 NPC300017
Intermediate Similarity 0.7391 NPC300478
Intermediate Similarity 0.7385 NPC268572
Intermediate Similarity 0.7381 NPC42911
Intermediate Similarity 0.7381 NPC290353
Intermediate Similarity 0.7381 NPC153795
Intermediate Similarity 0.7376 NPC197921
Intermediate Similarity 0.7376 NPC150712
Intermediate Similarity 0.7376 NPC476989
Intermediate Similarity 0.7372 NPC45191
Intermediate Similarity 0.7364 NPC283468
Intermediate Similarity 0.736 NPC63345
Intermediate Similarity 0.7357 NPC473055
Intermediate Similarity 0.7357 NPC473052
Intermediate Similarity 0.7348 NPC27581
Intermediate Similarity 0.7347 NPC60538
Intermediate Similarity 0.7347 NPC207824
Intermediate Similarity 0.7339 NPC262365
Intermediate Similarity 0.7338 NPC473360
Intermediate Similarity 0.7333 NPC244336
Intermediate Similarity 0.7329 NPC473491
Intermediate Similarity 0.7328 NPC45040
Intermediate Similarity 0.7328 NPC263835
Intermediate Similarity 0.7324 NPC251439
Intermediate Similarity 0.7324 NPC212850
Intermediate Similarity 0.7324 NPC91953
Intermediate Similarity 0.7324 NPC189724
Intermediate Similarity 0.7324 NPC83289
Intermediate Similarity 0.7323 NPC176730
Intermediate Similarity 0.7323 NPC123175
Intermediate Similarity 0.7313 NPC171372
Intermediate Similarity 0.7311 NPC107619
Intermediate Similarity 0.7308 NPC317784
Intermediate Similarity 0.7308 NPC122009
Intermediate Similarity 0.7308 NPC142638
Intermediate Similarity 0.7305 NPC193528
Intermediate Similarity 0.7305 NPC322526
Intermediate Similarity 0.7304 NPC280347
Intermediate Similarity 0.7304 NPC177420
Intermediate Similarity 0.7297 NPC476742
Intermediate Similarity 0.728 NPC55617
Intermediate Similarity 0.728 NPC62258
Intermediate Similarity 0.7273 NPC326241
Intermediate Similarity 0.7273 NPC56634
Intermediate Similarity 0.7273 NPC284078
Intermediate Similarity 0.7273 NPC318357
Intermediate Similarity 0.7266 NPC473137
Intermediate Similarity 0.7266 NPC120280
Intermediate Similarity 0.726 NPC245974
Intermediate Similarity 0.7255 NPC63931
Intermediate Similarity 0.7254 NPC299583
Intermediate Similarity 0.7252 NPC319950
Intermediate Similarity 0.725 NPC92730
Intermediate Similarity 0.725 NPC128723
Intermediate Similarity 0.7248 NPC76213
Intermediate Similarity 0.7248 NPC476741
Intermediate Similarity 0.7248 NPC277669
Intermediate Similarity 0.7248 NPC476268
Intermediate Similarity 0.7246 NPC473724
Intermediate Similarity 0.7241 NPC55561
Intermediate Similarity 0.7236 NPC474839
Intermediate Similarity 0.7236 NPC42383
Intermediate Similarity 0.7231 NPC476266
Intermediate Similarity 0.7227 NPC216520
Intermediate Similarity 0.7227 NPC82664
Intermediate Similarity 0.7227 NPC292730

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  287.15
ALogP  -1.5836
MLogP  2.89
XLogP  2.594
HDA  2
HBD  4
Rotatable Bonds  10
TPSA  72.72
RO5 Violation  0