Drug Information

Drug ID:  NPD9624
Drug Name:  Phenoxypropazine
Molecular Formula:  C9H14N2O
Canonical SMILES:  NNC(COc1ccccc1)C
Standard InCHI:  InChI=1S/C9H14N2O/c1-8(11-10)7-12-9-5-3-2-4-6-9/h2-6,8,11H,7,10H2,1H3
Standard InCHIKey:  QNEXFJFTGQBXBJ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9624

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 0.8269 NPC313918
Intermediate Similarity 0.7895 NPC26524
Intermediate Similarity 0.7611 NPC97811
Intermediate Similarity 0.75 NPC42383
Intermediate Similarity 0.7478 NPC95977
Intermediate Similarity 0.7475 NPC124576
Intermediate Similarity 0.7451 NPC125306
Intermediate Similarity 0.7414 NPC21890
Intermediate Similarity 0.7368 NPC186469
Intermediate Similarity 0.7358 NPC318429
Intermediate Similarity 0.7282 NPC23837
Intermediate Similarity 0.7222 NPC141739
Intermediate Similarity 0.7222 NPC136112
Intermediate Similarity 0.7222 NPC320242
Intermediate Similarity 0.713 NPC41594
Intermediate Similarity 0.7075 NPC206876
Intermediate Similarity 0.7054 NPC471576
Intermediate Similarity 0.7023 NPC247018
Intermediate Similarity 0.7023 NPC307123
Intermediate Similarity 0.7023 NPC97870
Remote Similarity 0.6964 NPC95755
Remote Similarity 0.6944 NPC177844
Remote Similarity 0.6944 NPC99886
Remote Similarity 0.6944 NPC302546
Remote Similarity 0.6944 NPC259134
Remote Similarity 0.6944 NPC8002
Remote Similarity 0.693 NPC51633
Remote Similarity 0.6929 NPC328267
Remote Similarity 0.6903 NPC314803
Remote Similarity 0.6903 NPC132725
Remote Similarity 0.6881 NPC71853
Remote Similarity 0.687 NPC192596
Remote Similarity 0.6852 NPC47422
Remote Similarity 0.6852 NPC157213
Remote Similarity 0.6818 NPC321956
Remote Similarity 0.681 NPC108875
Remote Similarity 0.681 NPC38079
Remote Similarity 0.681 NPC283546
Remote Similarity 0.6774 NPC120075
Remote Similarity 0.6772 NPC211992
Remote Similarity 0.6754 NPC307039
Remote Similarity 0.6752 NPC473855
Remote Similarity 0.6752 NPC17537
Remote Similarity 0.6752 NPC470393
Remote Similarity 0.6752 NPC128730
Remote Similarity 0.675 NPC226914
Remote Similarity 0.6723 NPC146530
Remote Similarity 0.6723 NPC309982
Remote Similarity 0.6696 NPC107101
Remote Similarity 0.6696 NPC471581
Remote Similarity 0.6695 NPC176971
Remote Similarity 0.6695 NPC473653
Remote Similarity 0.6693 NPC318357
Remote Similarity 0.6667 NPC255253
Remote Similarity 0.6667 NPC256369
Remote Similarity 0.6642 NPC471953
Remote Similarity 0.6642 NPC274732
Remote Similarity 0.6642 NPC231163
Remote Similarity 0.6642 NPC318591
Remote Similarity 0.6639 NPC194034
Remote Similarity 0.6639 NPC157473
Remote Similarity 0.6639 NPC151530
Remote Similarity 0.6639 NPC258171
Remote Similarity 0.6638 NPC307425
Remote Similarity 0.6615 NPC272463
Remote Similarity 0.6614 NPC263835
Remote Similarity 0.661 NPC8302
Remote Similarity 0.6609 NPC100870
Remote Similarity 0.6583 NPC291837
Remote Similarity 0.6581 NPC179686
Remote Similarity 0.6557 NPC166837
Remote Similarity 0.6555 NPC326801
Remote Similarity 0.6552 NPC13755
Remote Similarity 0.6549 NPC114325
Remote Similarity 0.6549 NPC16649
Remote Similarity 0.6529 NPC172046
Remote Similarity 0.6529 NPC24777
Remote Similarity 0.6522 NPC175298
Remote Similarity 0.6522 NPC470161
Remote Similarity 0.65 NPC215445
Remote Similarity 0.6496 NPC84325
Remote Similarity 0.6493 NPC195902
Remote Similarity 0.6475 NPC25067
Remote Similarity 0.6475 NPC88868
Remote Similarity 0.6475 NPC231251
Remote Similarity 0.6475 NPC46844
Remote Similarity 0.6471 NPC473393
Remote Similarity 0.6471 NPC238115
Remote Similarity 0.6462 NPC298486
Remote Similarity 0.6441 NPC305205
Remote Similarity 0.6429 NPC258992
Remote Similarity 0.6423 NPC55300
Remote Similarity 0.6417 NPC326447
Remote Similarity 0.6412 NPC140359
Remote Similarity 0.6412 NPC13020
Remote Similarity 0.6412 NPC217277
Remote Similarity 0.6397 NPC470392
Remote Similarity 0.6393 NPC149545
Remote Similarity 0.6387 NPC109637
Remote Similarity 0.6383 NPC204546
Remote Similarity 0.6378 NPC323948
Remote Similarity 0.6371 NPC165646
Remote Similarity 0.6371 NPC115379
Remote Similarity 0.6356 NPC12714
Remote Similarity 0.6356 NPC300166
Remote Similarity 0.6356 NPC310905
Remote Similarity 0.6349 NPC303370
Remote Similarity 0.6343 NPC291847
Remote Similarity 0.6343 NPC280736
Remote Similarity 0.6341 NPC106141
Remote Similarity 0.6333 NPC475269
Remote Similarity 0.6328 NPC5932
Remote Similarity 0.6325 NPC125732
Remote Similarity 0.6324 NPC326599
Remote Similarity 0.6324 NPC329595
Remote Similarity 0.632 NPC90903
Remote Similarity 0.632 NPC264782
Remote Similarity 0.6312 NPC83289
Remote Similarity 0.6312 NPC189724
Remote Similarity 0.6312 NPC212850
Remote Similarity 0.6303 NPC12870
Remote Similarity 0.6303 NPC24327
Remote Similarity 0.6303 NPC319933
Remote Similarity 0.6303 NPC298224
Remote Similarity 0.629 NPC266932
Remote Similarity 0.629 NPC245552
Remote Similarity 0.6288 NPC211218
Remote Similarity 0.6288 NPC315632
Remote Similarity 0.6271 NPC156768
Remote Similarity 0.627 NPC235250
Remote Similarity 0.627 NPC161696
Remote Similarity 0.627 NPC252004
Remote Similarity 0.626 NPC290566
Remote Similarity 0.626 NPC259554
Remote Similarity 0.626 NPC145638
Remote Similarity 0.625 NPC38209
Remote Similarity 0.625 NPC12987
Remote Similarity 0.625 NPC2518
Remote Similarity 0.625 NPC241224
Remote Similarity 0.625 NPC474603
Remote Similarity 0.625 NPC292792
Remote Similarity 0.6242 NPC206372
Remote Similarity 0.6242 NPC203424
Remote Similarity 0.6241 NPC317741
Remote Similarity 0.6241 NPC241086
Remote Similarity 0.6241 NPC318984
Remote Similarity 0.6241 NPC318028
Remote Similarity 0.6241 NPC328137
Remote Similarity 0.6241 NPC105513
Remote Similarity 0.6241 NPC259800
Remote Similarity 0.6241 NPC282087
Remote Similarity 0.6239 NPC303611
Remote Similarity 0.6239 NPC108606
Remote Similarity 0.6239 NPC226096
Remote Similarity 0.6239 NPC290515
Remote Similarity 0.6239 NPC164514
Remote Similarity 0.6231 NPC41801
Remote Similarity 0.623 NPC251306
Remote Similarity 0.623 NPC227894
Remote Similarity 0.6216 NPC47672
Remote Similarity 0.6204 NPC70485
Remote Similarity 0.6198 NPC227255
Remote Similarity 0.6198 NPC307875
Remote Similarity 0.6198 NPC288760
Remote Similarity 0.6198 NPC139891
Remote Similarity 0.6194 NPC110131
Remote Similarity 0.619 NPC301735
Remote Similarity 0.619 NPC303522
Remote Similarity 0.6181 NPC78530
Remote Similarity 0.6179 NPC241549
Remote Similarity 0.6176 NPC471321
Remote Similarity 0.6176 NPC471306
Remote Similarity 0.6174 NPC233791
Remote Similarity 0.6172 NPC154256
Remote Similarity 0.6172 NPC290470
Remote Similarity 0.617 NPC474673
Remote Similarity 0.6167 NPC68055
Remote Similarity 0.6159 NPC208022
Remote Similarity 0.6154 NPC43275
Remote Similarity 0.6148 NPC42471
Remote Similarity 0.6148 NPC113457
Remote Similarity 0.6148 NPC1065
Remote Similarity 0.6142 NPC87563
Remote Similarity 0.6142 NPC142319
Remote Similarity 0.6138 NPC247298
Remote Similarity 0.6134 NPC316797
Remote Similarity 0.6129 NPC474272
Remote Similarity 0.6127 NPC326860
Remote Similarity 0.6127 NPC197239
Remote Similarity 0.6124 NPC161768
Remote Similarity 0.6119 NPC62101
Remote Similarity 0.6119 NPC95733
Remote Similarity 0.6111 NPC474920
Remote Similarity 0.6111 NPC280760
Remote Similarity 0.6107 NPC471308
Remote Similarity 0.6107 NPC289330
Remote Similarity 0.6107 NPC17388
Remote Similarity 0.6107 NPC53596
Remote Similarity 0.6107 NPC321133
Remote Similarity 0.6107 NPC160120

Drug Structure

External Identifiers

TTD  
DrugBank   DB09251
ChEMBL   CHEMBL1909286
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI   134799
CAS Number  3818-37-9

Drug Properties

Molecular Weight  166.11
ALogP  -1.1575
MLogP  2.12
XLogP  2.023
HDA  2
HBD  2
Rotatable Bonds  6
TPSA  47.28
RO5 Violation  0