Drug Information

Drug ID:  NPD9377
Drug Name:  Dopamine Hydrochloride
Molecular Formula:  C8H11NO2.ClH
Canonical SMILES:  NCCc1ccc(c(c1)O)O.Cl
Standard InCHI:  InChI=1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H
Standard InCHIKey:  CTENFNNZBMHDDG-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9377

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 1.0 NPC146422
High Similarity 0.9455 NPC85276
High Similarity 0.9286 NPC115627
High Similarity 0.9286 NPC118522
High Similarity 0.9286 NPC169207
High Similarity 0.9135 NPC68055
High Similarity 0.9091 NPC142599
High Similarity 0.8966 NPC140359
High Similarity 0.8966 NPC13020
High Similarity 0.8846 NPC125732
High Similarity 0.8803 NPC318777
High Similarity 0.875 NPC109955
High Similarity 0.8739 NPC323775
High Similarity 0.8739 NPC236347
High Similarity 0.8667 NPC16031
High Similarity 0.8667 NPC145888
High Similarity 0.8667 NPC161593
High Similarity 0.8655 NPC318965
High Similarity 0.8534 NPC268572
High Similarity 0.8522 NPC283468
High Similarity 0.8505 NPC110764
Intermediate Similarity 0.8468 NPC145638
Intermediate Similarity 0.8468 NPC290566
Intermediate Similarity 0.8455 NPC329595
Intermediate Similarity 0.8455 NPC326599
Intermediate Similarity 0.8448 NPC122009
Intermediate Similarity 0.8426 NPC196479
Intermediate Similarity 0.8411 NPC29601
Intermediate Similarity 0.839 NPC284078
Intermediate Similarity 0.8387 NPC88667
Intermediate Similarity 0.8381 NPC107522
Intermediate Similarity 0.8362 NPC120075
Intermediate Similarity 0.8349 NPC12278
Intermediate Similarity 0.8349 NPC471511
Intermediate Similarity 0.8349 NPC120719
Intermediate Similarity 0.8318 NPC131587
Intermediate Similarity 0.8304 NPC71266
Intermediate Similarity 0.8279 NPC321561
Intermediate Similarity 0.8273 NPC239291
Intermediate Similarity 0.8241 NPC223393
Intermediate Similarity 0.824 NPC300020
Intermediate Similarity 0.824 NPC33338
Intermediate Similarity 0.824 NPC302171
Intermediate Similarity 0.8205 NPC137096
Intermediate Similarity 0.8198 NPC477814
Intermediate Similarity 0.8158 NPC280382
Intermediate Similarity 0.8145 NPC271808
Intermediate Similarity 0.8091 NPC178902
Intermediate Similarity 0.8073 NPC155847
Intermediate Similarity 0.8073 NPC289381
Intermediate Similarity 0.8065 NPC153990
Intermediate Similarity 0.8056 NPC107619
Intermediate Similarity 0.8053 NPC233835
Intermediate Similarity 0.8034 NPC10286
Intermediate Similarity 0.8034 NPC213
Intermediate Similarity 0.8018 NPC52087
Intermediate Similarity 0.8018 NPC79672
Intermediate Similarity 0.8 NPC170170
Intermediate Similarity 0.8 NPC219233
Intermediate Similarity 0.8 NPC211468
Intermediate Similarity 0.7982 NPC55617
Intermediate Similarity 0.7982 NPC62258
Intermediate Similarity 0.7982 NPC254833
Intermediate Similarity 0.7982 NPC228343
Intermediate Similarity 0.7966 NPC106551
Intermediate Similarity 0.7966 NPC188867
Intermediate Similarity 0.7966 NPC281686
Intermediate Similarity 0.7951 NPC298486
Intermediate Similarity 0.7939 NPC323123
Intermediate Similarity 0.7928 NPC477801
Intermediate Similarity 0.7928 NPC477802
Intermediate Similarity 0.7913 NPC226401
Intermediate Similarity 0.7913 NPC79793
Intermediate Similarity 0.7913 NPC174096
Intermediate Similarity 0.7913 NPC222084
Intermediate Similarity 0.7913 NPC120982
Intermediate Similarity 0.7913 NPC147634
Intermediate Similarity 0.7895 NPC153690
Intermediate Similarity 0.7879 NPC66518
Intermediate Similarity 0.7876 NPC294902
Intermediate Similarity 0.7876 NPC231705
Intermediate Similarity 0.7876 NPC19149
Intermediate Similarity 0.7876 NPC1786
Intermediate Similarity 0.7876 NPC1075
Intermediate Similarity 0.787 NPC274678
Intermediate Similarity 0.7863 NPC59387
Intermediate Similarity 0.7845 NPC179002
Intermediate Similarity 0.7845 NPC257124
Intermediate Similarity 0.7845 NPC257430
Intermediate Similarity 0.7845 NPC173746
Intermediate Similarity 0.7845 NPC187583
Intermediate Similarity 0.7845 NPC297657
Intermediate Similarity 0.7845 NPC156840
Intermediate Similarity 0.7845 NPC8547
Intermediate Similarity 0.7845 NPC268032
Intermediate Similarity 0.7826 NPC172046
Intermediate Similarity 0.7826 NPC258056
Intermediate Similarity 0.7812 NPC214869
Intermediate Similarity 0.7812 NPC130595
Intermediate Similarity 0.7812 NPC93882
Intermediate Similarity 0.781 NPC27974
Intermediate Similarity 0.7807 NPC142297
Intermediate Similarity 0.7807 NPC176527
Intermediate Similarity 0.7778 NPC251571
Intermediate Similarity 0.7769 NPC239697
Intermediate Similarity 0.7769 NPC283760
Intermediate Similarity 0.7759 NPC474149
Intermediate Similarity 0.7752 NPC6854
Intermediate Similarity 0.7752 NPC285078
Intermediate Similarity 0.7752 NPC313737
Intermediate Similarity 0.7739 NPC24101
Intermediate Similarity 0.7739 NPC105727
Intermediate Similarity 0.7739 NPC96224
Intermediate Similarity 0.7739 NPC58427
Intermediate Similarity 0.7739 NPC34864
Intermediate Similarity 0.7739 NPC114392
Intermediate Similarity 0.7734 NPC114102
Intermediate Similarity 0.7724 NPC211992
Intermediate Similarity 0.7717 NPC155838
Intermediate Similarity 0.7714 NPC23167
Intermediate Similarity 0.7712 NPC471485
Intermediate Similarity 0.7712 NPC148969
Intermediate Similarity 0.7712 NPC264558
Intermediate Similarity 0.7692 NPC175313
Intermediate Similarity 0.7692 NPC21890
Intermediate Similarity 0.7692 NPC218530
Intermediate Similarity 0.768 NPC105513
Intermediate Similarity 0.7672 NPC36108
Intermediate Similarity 0.7672 NPC7097
Intermediate Similarity 0.7672 NPC233731
Intermediate Similarity 0.7672 NPC246358
Intermediate Similarity 0.7664 NPC300017
Intermediate Similarity 0.7664 NPC192
Intermediate Similarity 0.7656 NPC35961
Intermediate Similarity 0.7656 NPC52029
Intermediate Similarity 0.7656 NPC195749
Intermediate Similarity 0.7647 NPC120280
Intermediate Similarity 0.7642 NPC25493
Intermediate Similarity 0.7642 NPC113460
Intermediate Similarity 0.7636 NPC202986
Intermediate Similarity 0.7634 NPC6913
Intermediate Similarity 0.7632 NPC42383
Intermediate Similarity 0.7619 NPC197783
Intermediate Similarity 0.7615 NPC20142
Intermediate Similarity 0.7615 NPC215351
Intermediate Similarity 0.7597 NPC308885
Intermediate Similarity 0.7597 NPC255550
Intermediate Similarity 0.7596 NPC265146
Intermediate Similarity 0.7593 NPC304541
Intermediate Similarity 0.7593 NPC45040
Intermediate Similarity 0.7586 NPC97811
Intermediate Similarity 0.7583 NPC4665
Intermediate Similarity 0.7574 NPC294249
Intermediate Similarity 0.757 NPC123273
Intermediate Similarity 0.757 NPC258219
Intermediate Similarity 0.757 NPC177420
Intermediate Similarity 0.757 NPC318325
Intermediate Similarity 0.757 NPC242240
Intermediate Similarity 0.757 NPC280347
Intermediate Similarity 0.7568 NPC32674
Intermediate Similarity 0.7561 NPC252817
Intermediate Similarity 0.7559 NPC301713
Intermediate Similarity 0.7542 NPC226250
Intermediate Similarity 0.7542 NPC195873
Intermediate Similarity 0.7542 NPC78918
Intermediate Similarity 0.7542 NPC139617
Intermediate Similarity 0.7541 NPC142638
Intermediate Similarity 0.7541 NPC317784
Intermediate Similarity 0.7524 NPC150837
Intermediate Similarity 0.7524 NPC248817
Intermediate Similarity 0.7523 NPC94139
Intermediate Similarity 0.7523 NPC55903
Intermediate Similarity 0.7523 NPC3358
Intermediate Similarity 0.7523 NPC325292
Intermediate Similarity 0.7523 NPC210497
Intermediate Similarity 0.7523 NPC306884
Intermediate Similarity 0.7523 NPC162314
Intermediate Similarity 0.7523 NPC147284
Intermediate Similarity 0.7523 NPC138117
Intermediate Similarity 0.7521 NPC299252
Intermediate Similarity 0.7521 NPC221049
Intermediate Similarity 0.7521 NPC61062
Intermediate Similarity 0.7521 NPC277394
Intermediate Similarity 0.75 NPC115803
Intermediate Similarity 0.75 NPC118202
Intermediate Similarity 0.75 NPC312304
Intermediate Similarity 0.75 NPC291847
Intermediate Similarity 0.75 NPC318357
Intermediate Similarity 0.75 NPC55561
Intermediate Similarity 0.7479 NPC51698
Intermediate Similarity 0.7479 NPC131530
Intermediate Similarity 0.7479 NPC471179
Intermediate Similarity 0.7477 NPC104216
Intermediate Similarity 0.7459 NPC150919
Intermediate Similarity 0.7459 NPC200988
Intermediate Similarity 0.7459 NPC164386
Intermediate Similarity 0.7459 NPC293619
Intermediate Similarity 0.7459 NPC175799
Intermediate Similarity 0.7459 NPC145023
Intermediate Similarity 0.7459 NPC278652

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  153.08
ALogP  -1.4033
MLogP  2.01
XLogP  0.57
HDA  1
HBD  3
Rotatable Bonds  5
TPSA  66.48
RO5 Violation  0