Drug Information

Drug ID:  NPD2486
Drug Name:  Org-10490
Molecular Formula:  C17H19NO
Canonical SMILES:  CN1CCc2ccccc2Oc2c(CC1)cccc2
Standard InCHI:  InChI=1S/C17H19NO/c1-18-12-10-14-6-2-4-8-16(14)19-17-9-5-3-7-15(17)11-13-18/h2-9H,10-13H2,1H3
Standard InCHIKey:  NREYMNFZCFNECP-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2486

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 0.8189 NPC283079
Intermediate Similarity 0.8174 NPC186469
Intermediate Similarity 0.808 NPC328267
Intermediate Similarity 0.8049 NPC263835
Intermediate Similarity 0.8049 NPC321133
Intermediate Similarity 0.7937 NPC255253
Intermediate Similarity 0.7931 NPC326801
Intermediate Similarity 0.7917 NPC26524
Intermediate Similarity 0.7829 NPC172403
Intermediate Similarity 0.7823 NPC43275
Intermediate Similarity 0.7752 NPC218323
Intermediate Similarity 0.7717 NPC471314
Intermediate Similarity 0.7717 NPC471315
Intermediate Similarity 0.7692 NPC42383
Intermediate Similarity 0.7692 NPC475269
Intermediate Similarity 0.7647 NPC97811
Intermediate Similarity 0.7632 NPC95755
Intermediate Similarity 0.7594 NPC118419
Intermediate Similarity 0.754 NPC256369
Intermediate Similarity 0.7538 NPC141739
Intermediate Similarity 0.7538 NPC136112
Intermediate Similarity 0.7519 NPC211218
Intermediate Similarity 0.748 NPC289330
Intermediate Similarity 0.748 NPC53596
Intermediate Similarity 0.748 NPC471308
Intermediate Similarity 0.748 NPC17388
Intermediate Similarity 0.748 NPC160120
Intermediate Similarity 0.7478 NPC313918
Intermediate Similarity 0.7464 NPC83289
Intermediate Similarity 0.7464 NPC189724
Intermediate Similarity 0.7464 NPC212850
Intermediate Similarity 0.7462 NPC62101
Intermediate Similarity 0.7462 NPC95733
Intermediate Similarity 0.7459 NPC21890
Intermediate Similarity 0.7445 NPC231163
Intermediate Similarity 0.7445 NPC318591
Intermediate Similarity 0.7426 NPC11147
Intermediate Similarity 0.7422 NPC318357
Intermediate Similarity 0.7414 NPC471576
Intermediate Similarity 0.7407 NPC325568
Intermediate Similarity 0.7407 NPC266425
Intermediate Similarity 0.7405 NPC29477
Intermediate Similarity 0.7395 NPC470393
Intermediate Similarity 0.7394 NPC473934
Intermediate Similarity 0.7385 NPC217277
Intermediate Similarity 0.7377 NPC95977
Intermediate Similarity 0.7372 NPC167944
Intermediate Similarity 0.7372 NPC42793
Intermediate Similarity 0.7372 NPC231884
Intermediate Similarity 0.7364 NPC211992
Intermediate Similarity 0.736 NPC303370
Intermediate Similarity 0.735 NPC316797
Intermediate Similarity 0.735 NPC155847
Intermediate Similarity 0.735 NPC289381
Intermediate Similarity 0.7348 NPC301713
Intermediate Similarity 0.7345 NPC321956
Intermediate Similarity 0.7338 NPC314682
Intermediate Similarity 0.7333 NPC113457
Intermediate Similarity 0.7328 NPC470161
Intermediate Similarity 0.7319 NPC193528
Intermediate Similarity 0.7317 NPC166837
Intermediate Similarity 0.7313 NPC160193
Intermediate Similarity 0.7311 NPC108875
Intermediate Similarity 0.7311 NPC38079
Intermediate Similarity 0.7308 NPC298486
Intermediate Similarity 0.7288 NPC300166
Intermediate Similarity 0.7286 NPC474915
Intermediate Similarity 0.7286 NPC213206
Intermediate Similarity 0.7286 NPC188163
Intermediate Similarity 0.7286 NPC328750
Intermediate Similarity 0.7273 NPC320242
Intermediate Similarity 0.7273 NPC110131
Intermediate Similarity 0.7266 NPC172253
Intermediate Similarity 0.7266 NPC59561
Intermediate Similarity 0.7258 NPC474920
Intermediate Similarity 0.7257 NPC71853
Intermediate Similarity 0.7254 NPC247298
Intermediate Similarity 0.725 NPC473855
Intermediate Similarity 0.7246 NPC307682
Intermediate Similarity 0.7227 NPC24327
Intermediate Similarity 0.7227 NPC12870
Intermediate Similarity 0.7227 NPC192596
Intermediate Similarity 0.7222 NPC106295
Intermediate Similarity 0.7222 NPC51957
Intermediate Similarity 0.7222 NPC210437
Intermediate Similarity 0.7222 NPC16107
Intermediate Similarity 0.7222 NPC476151
Intermediate Similarity 0.7222 NPC476144
Intermediate Similarity 0.7217 NPC471581
Intermediate Similarity 0.7206 NPC474200
Intermediate Similarity 0.72 NPC141003
Intermediate Similarity 0.72 NPC35344
Intermediate Similarity 0.7182 NPC125306
Intermediate Similarity 0.7172 NPC7467
Intermediate Similarity 0.7168 NPC259134
Intermediate Similarity 0.7168 NPC99886
Intermediate Similarity 0.7168 NPC8002
Intermediate Similarity 0.7168 NPC177844
Intermediate Similarity 0.7167 NPC241224
Intermediate Similarity 0.7164 NPC251571
Intermediate Similarity 0.7163 NPC470925
Intermediate Similarity 0.7154 NPC212559
Intermediate Similarity 0.7154 NPC474272
Intermediate Similarity 0.7153 NPC296085
Intermediate Similarity 0.7153 NPC245974
Intermediate Similarity 0.7143 NPC51633
Intermediate Similarity 0.7143 NPC307425
Intermediate Similarity 0.7132 NPC114102
Intermediate Similarity 0.7131 NPC194034
Intermediate Similarity 0.7123 NPC103379
Intermediate Similarity 0.7123 NPC477565
Intermediate Similarity 0.712 NPC280760
Intermediate Similarity 0.7111 NPC155838
Intermediate Similarity 0.7111 NPC471321
Intermediate Similarity 0.7111 NPC471306
Intermediate Similarity 0.7109 NPC323948
Intermediate Similarity 0.7109 NPC120075
Intermediate Similarity 0.7107 NPC139891
Intermediate Similarity 0.7107 NPC473393
Intermediate Similarity 0.7097 NPC2682
Intermediate Similarity 0.7097 NPC475852
Intermediate Similarity 0.7097 NPC106141
Intermediate Similarity 0.7087 NPC473718
Intermediate Similarity 0.7087 NPC464
Intermediate Similarity 0.7087 NPC51345
Intermediate Similarity 0.7087 NPC283169
Intermediate Similarity 0.7087 NPC185541
Intermediate Similarity 0.7083 NPC185838
Intermediate Similarity 0.7083 NPC145304
Intermediate Similarity 0.7083 NPC189908
Intermediate Similarity 0.708 NPC470392
Intermediate Similarity 0.708 NPC214869
Intermediate Similarity 0.7073 NPC146530
Intermediate Similarity 0.7073 NPC201959
Intermediate Similarity 0.7073 NPC96224
Intermediate Similarity 0.7073 NPC24101
Intermediate Similarity 0.7073 NPC75440
Intermediate Similarity 0.7067 NPC323443
Intermediate Similarity 0.7067 NPC180756
Intermediate Similarity 0.7063 NPC135349
Intermediate Similarity 0.7063 NPC128019
Intermediate Similarity 0.7063 NPC136860
Intermediate Similarity 0.7063 NPC476567
Intermediate Similarity 0.7059 NPC35961
Intermediate Similarity 0.7059 NPC195749
Intermediate Similarity 0.7059 NPC107101
Intermediate Similarity 0.7059 NPC52029
Intermediate Similarity 0.705 NPC237227
Intermediate Similarity 0.7047 NPC475557
Intermediate Similarity 0.7045 NPC100099
Intermediate Similarity 0.7045 NPC150026
Intermediate Similarity 0.7045 NPC188997
Intermediate Similarity 0.7045 NPC36016
Intermediate Similarity 0.7042 NPC323204
Intermediate Similarity 0.704 NPC233238
Intermediate Similarity 0.7034 NPC71629
Intermediate Similarity 0.7031 NPC229147
Intermediate Similarity 0.7031 NPC54507
Intermediate Similarity 0.7031 NPC85292
Intermediate Similarity 0.7031 NPC33717
Intermediate Similarity 0.7031 NPC69539
Intermediate Similarity 0.7027 NPC81733
Intermediate Similarity 0.7027 NPC326316
Intermediate Similarity 0.7023 NPC83279
Intermediate Similarity 0.702 NPC129603
Intermediate Similarity 0.7016 NPC149545
Intermediate Similarity 0.7015 NPC124776
Intermediate Similarity 0.7007 NPC258222
Intermediate Similarity 0.7 NPC51341
Intermediate Similarity 0.7 NPC471449
Intermediate Similarity 0.7 NPC54243
Intermediate Similarity 0.7 NPC295259
Intermediate Similarity 0.7 NPC84325
Remote Similarity 0.6993 NPC153631
Remote Similarity 0.6992 NPC151530
Remote Similarity 0.6992 NPC157473
Remote Similarity 0.6992 NPC261992
Remote Similarity 0.6992 NPC76465
Remote Similarity 0.6992 NPC233320
Remote Similarity 0.6992 NPC307020
Remote Similarity 0.6992 NPC35543
Remote Similarity 0.6992 NPC38761
Remote Similarity 0.6986 NPC191376
Remote Similarity 0.6986 NPC179825
Remote Similarity 0.6986 NPC321505
Remote Similarity 0.6977 NPC86947
Remote Similarity 0.6977 NPC69261
Remote Similarity 0.6977 NPC187993
Remote Similarity 0.6977 NPC25648
Remote Similarity 0.6977 NPC33270
Remote Similarity 0.6977 NPC263754
Remote Similarity 0.6977 NPC238176
Remote Similarity 0.6977 NPC183154
Remote Similarity 0.6975 NPC100870
Remote Similarity 0.697 NPC54972
Remote Similarity 0.697 NPC475839
Remote Similarity 0.696 NPC473809
Remote Similarity 0.6959 NPC47672
Remote Similarity 0.6957 NPC97870
Remote Similarity 0.6957 NPC274732

Drug Structure

External Identifiers

TTD   DIB005642
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  253.15
ALogP  0.4958
MLogP  3.11
XLogP  4.843
HDA  1
HBD  0
Rotatable Bonds  1
TPSA  12.47
RO5 Violation  0