Drug Information

Drug ID:  NPD9608
Drug Name:  Hydroxyamphetamine Hydrobromide
Molecular Formula:  C9H13NO.BrH
Canonical SMILES:  CC(Cc1ccc(cc1)O)N.Br
Standard InCHI:  InChI=1S/C9H13NO.BrH/c1-7(10)6-8-2-4-9(11)5-3-8;/h2-5,7,11H,6,10H2,1H3;1H
Standard InCHIKey:  RZCJLMTXBMNRAD-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9608

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 0.9583 NPC125732
High Similarity 0.91 NPC68055
High Similarity 0.8942 NPC145638
High Similarity 0.8942 NPC290566
High Similarity 0.89 NPC289381
High Similarity 0.89 NPC155847
High Similarity 0.89 NPC29601
High Similarity 0.8725 NPC178902
High Similarity 0.8716 NPC188867
High Similarity 0.8716 NPC281686
High Similarity 0.8716 NPC106551
High Similarity 0.8692 NPC146422
High Similarity 0.8667 NPC97811
High Similarity 0.8649 NPC283760
High Similarity 0.8624 NPC10286
High Similarity 0.8624 NPC213
High Similarity 0.8542 NPC23167
High Similarity 0.8515 NPC108606
High Similarity 0.8515 NPC303611
High Similarity 0.8515 NPC290515
High Similarity 0.8515 NPC107619
High Similarity 0.8515 NPC226096
High Similarity 0.8515 NPC164514
Intermediate Similarity 0.8482 NPC239697
Intermediate Similarity 0.8476 NPC231705
Intermediate Similarity 0.8454 NPC25493
Intermediate Similarity 0.8454 NPC113460
Intermediate Similarity 0.844 NPC59387
Intermediate Similarity 0.8438 NPC197783
Intermediate Similarity 0.8411 NPC258056
Intermediate Similarity 0.8396 NPC142297
Intermediate Similarity 0.8393 NPC85276
Intermediate Similarity 0.8381 NPC42383
Intermediate Similarity 0.8367 NPC280347
Intermediate Similarity 0.8367 NPC258219
Intermediate Similarity 0.8367 NPC242240
Intermediate Similarity 0.8367 NPC123273
Intermediate Similarity 0.8367 NPC177420
Intermediate Similarity 0.8367 NPC318325
Intermediate Similarity 0.8364 NPC118202
Intermediate Similarity 0.8333 NPC474149
Intermediate Similarity 0.8333 NPC175313
Intermediate Similarity 0.8333 NPC248817
Intermediate Similarity 0.8318 NPC153690
Intermediate Similarity 0.8288 NPC317254
Intermediate Similarity 0.8283 NPC55561
Intermediate Similarity 0.8273 NPC26524
Intermediate Similarity 0.823 NPC142638
Intermediate Similarity 0.823 NPC317784
Intermediate Similarity 0.8229 NPC265146
Intermediate Similarity 0.8229 NPC124436
Intermediate Similarity 0.8218 NPC20142
Intermediate Similarity 0.8218 NPC215351
Intermediate Similarity 0.82 NPC304541
Intermediate Similarity 0.8163 NPC407
Intermediate Similarity 0.8163 NPC307235
Intermediate Similarity 0.8163 NPC184169
Intermediate Similarity 0.8148 NPC24101
Intermediate Similarity 0.8148 NPC96224
Intermediate Similarity 0.8142 NPC137096
Intermediate Similarity 0.8119 NPC138117
Intermediate Similarity 0.8119 NPC325292
Intermediate Similarity 0.8113 NPC147000
Intermediate Similarity 0.8113 NPC150254
Intermediate Similarity 0.8113 NPC226778
Intermediate Similarity 0.8113 NPC304761
Intermediate Similarity 0.8103 NPC27581
Intermediate Similarity 0.81 NPC300017
Intermediate Similarity 0.8091 NPC21890
Intermediate Similarity 0.8087 NPC115627
Intermediate Similarity 0.8087 NPC118522
Intermediate Similarity 0.8087 NPC169207
Intermediate Similarity 0.8081 NPC27974
Intermediate Similarity 0.8061 NPC155393
Intermediate Similarity 0.8056 NPC186469
Intermediate Similarity 0.8053 NPC82963
Intermediate Similarity 0.8039 NPC27323
Intermediate Similarity 0.8039 NPC316301
Intermediate Similarity 0.8036 NPC142599
Intermediate Similarity 0.8036 NPC115803
Intermediate Similarity 0.802 NPC45040
Intermediate Similarity 0.802 NPC204210
Intermediate Similarity 0.802 NPC155908
Intermediate Similarity 0.8017 NPC326079
Intermediate Similarity 0.8 NPC98772
Intermediate Similarity 0.8 NPC319950
Intermediate Similarity 0.7982 NPC311737
Intermediate Similarity 0.7982 NPC38458
Intermediate Similarity 0.7966 NPC13020
Intermediate Similarity 0.7966 NPC140359
Intermediate Similarity 0.7961 NPC313650
Intermediate Similarity 0.7961 NPC26244
Intermediate Similarity 0.7961 NPC8392
Intermediate Similarity 0.7959 NPC286904
Intermediate Similarity 0.7925 NPC327226
Intermediate Similarity 0.7921 NPC151764
Intermediate Similarity 0.7909 NPC172046
Intermediate Similarity 0.79 NPC104216
Intermediate Similarity 0.7885 NPC473388
Intermediate Similarity 0.7864 NPC128062
Intermediate Similarity 0.7864 NPC151715
Intermediate Similarity 0.7863 NPC318357
Intermediate Similarity 0.7851 NPC161593
Intermediate Similarity 0.7851 NPC16031
Intermediate Similarity 0.7851 NPC145888
Intermediate Similarity 0.7843 NPC270547
Intermediate Similarity 0.7843 NPC306074
Intermediate Similarity 0.7822 NPC70436
Intermediate Similarity 0.781 NPC260000
Intermediate Similarity 0.781 NPC77492
Intermediate Similarity 0.781 NPC225464
Intermediate Similarity 0.7805 NPC326966
Intermediate Similarity 0.7797 NPC474862
Intermediate Similarity 0.7797 NPC142577
Intermediate Similarity 0.7788 NPC274678
Intermediate Similarity 0.7787 NPC325651
Intermediate Similarity 0.7778 NPC150837
Intermediate Similarity 0.7769 NPC323775
Intermediate Similarity 0.7769 NPC236347
Intermediate Similarity 0.7767 NPC94139
Intermediate Similarity 0.7767 NPC306884
Intermediate Similarity 0.7767 NPC162314
Intermediate Similarity 0.7767 NPC147284
Intermediate Similarity 0.7767 NPC3358
Intermediate Similarity 0.7767 NPC210497
Intermediate Similarity 0.7767 NPC181709
Intermediate Similarity 0.7767 NPC55903
Intermediate Similarity 0.7745 NPC192
Intermediate Similarity 0.7745 NPC300478
Intermediate Similarity 0.7742 NPC88667
Intermediate Similarity 0.7736 NPC280869
Intermediate Similarity 0.7736 NPC128723
Intermediate Similarity 0.7736 NPC92730
Intermediate Similarity 0.7736 NPC122005
Intermediate Similarity 0.7736 NPC80027
Intermediate Similarity 0.7736 NPC252821
Intermediate Similarity 0.7714 NPC202986
Intermediate Similarity 0.7692 NPC245187
Intermediate Similarity 0.7692 NPC152415
Intermediate Similarity 0.7672 NPC120075
Intermediate Similarity 0.767 NPC231150
Intermediate Similarity 0.7667 NPC307020
Intermediate Similarity 0.7667 NPC318777
Intermediate Similarity 0.7664 NPC225506
Intermediate Similarity 0.7664 NPC214200
Intermediate Similarity 0.7664 NPC228400
Intermediate Similarity 0.7661 NPC48909
Intermediate Similarity 0.7652 NPC222982
Intermediate Similarity 0.7642 NPC109955
Intermediate Similarity 0.7642 NPC32674
Intermediate Similarity 0.7642 NPC315921
Intermediate Similarity 0.7619 NPC144682
Intermediate Similarity 0.76 NPC300020
Intermediate Similarity 0.76 NPC302171
Intermediate Similarity 0.76 NPC149379
Intermediate Similarity 0.76 NPC33338
Intermediate Similarity 0.76 NPC208757
Intermediate Similarity 0.7596 NPC271440
Intermediate Similarity 0.757 NPC132078
Intermediate Similarity 0.757 NPC78119
Intermediate Similarity 0.757 NPC216468
Intermediate Similarity 0.757 NPC51333
Intermediate Similarity 0.757 NPC245561
Intermediate Similarity 0.7563 NPC56634
Intermediate Similarity 0.7549 NPC19680
Intermediate Similarity 0.7547 NPC82664
Intermediate Similarity 0.7547 NPC292730
Intermediate Similarity 0.7547 NPC259512
Intermediate Similarity 0.7547 NPC312132
Intermediate Similarity 0.7547 NPC216520
Intermediate Similarity 0.7547 NPC132271
Intermediate Similarity 0.7542 NPC43275
Intermediate Similarity 0.7542 NPC268572
Intermediate Similarity 0.7541 NPC318965
Intermediate Similarity 0.754 NPC267237
Intermediate Similarity 0.7524 NPC32977
Intermediate Similarity 0.7524 NPC289769
Intermediate Similarity 0.7524 NPC81010
Intermediate Similarity 0.7524 NPC76938
Intermediate Similarity 0.7523 NPC196479
Intermediate Similarity 0.7521 NPC283468
Intermediate Similarity 0.752 NPC326599
Intermediate Similarity 0.752 NPC329595
Intermediate Similarity 0.75 NPC213730
Intermediate Similarity 0.75 NPC211885
Intermediate Similarity 0.75 NPC52472
Intermediate Similarity 0.748 NPC476353
Intermediate Similarity 0.748 NPC321561
Intermediate Similarity 0.748 NPC322366
Intermediate Similarity 0.7477 NPC152097
Intermediate Similarity 0.7477 NPC79241
Intermediate Similarity 0.7477 NPC474073
Intermediate Similarity 0.7477 NPC6597
Intermediate Similarity 0.7459 NPC171372
Intermediate Similarity 0.7458 NPC122009
Intermediate Similarity 0.7455 NPC120719
Intermediate Similarity 0.7453 NPC32714
Intermediate Similarity 0.7453 NPC286006
Intermediate Similarity 0.7453 NPC222146
Intermediate Similarity 0.7453 NPC107522

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  151.10
ALogP  -1.1469
MLogP  2.23
XLogP  1.564
HDA  1
HBD  2
Rotatable Bonds  5
TPSA  46.25
RO5 Violation  0