Drug Information

Drug ID:  NPD2595
Drug Name:  Bephenium
Molecular Formula:  C17H22NO
Canonical SMILES:  C[N+](Cc1ccccc1)(CCOc1ccccc1)C
Standard InCHI:  InChI=1S/C17H22NO/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3/q+1
Standard InCHIKey:  AVWWVJUMXRXPNF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2595

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 0.8306 NPC255253
Intermediate Similarity 0.8198 NPC313918
Intermediate Similarity 0.8189 NPC172403
Intermediate Similarity 0.813 NPC263835
Intermediate Similarity 0.8051 NPC95977
Intermediate Similarity 0.8016 NPC328267
Intermediate Similarity 0.7879 NPC266425
Intermediate Similarity 0.7851 NPC26524
Intermediate Similarity 0.784 NPC321133
Intermediate Similarity 0.7829 NPC218323
Intermediate Similarity 0.7795 NPC471315
Intermediate Similarity 0.7795 NPC471314
Intermediate Similarity 0.7794 NPC212850
Intermediate Similarity 0.7794 NPC83289
Intermediate Similarity 0.7794 NPC189724
Intermediate Similarity 0.776 NPC256369
Intermediate Similarity 0.7739 NPC316797
Intermediate Similarity 0.7734 NPC217277
Intermediate Similarity 0.7734 NPC211218
Intermediate Similarity 0.7652 NPC471576
Intermediate Similarity 0.7627 NPC42383
Intermediate Similarity 0.7619 NPC43275
Intermediate Similarity 0.7576 NPC283079
Intermediate Similarity 0.7571 NPC247298
Intermediate Similarity 0.7563 NPC326801
Intermediate Similarity 0.7559 NPC471308
Intermediate Similarity 0.7559 NPC17388
Intermediate Similarity 0.7559 NPC53596
Intermediate Similarity 0.7559 NPC289330
Intermediate Similarity 0.7559 NPC160120
Intermediate Similarity 0.7538 NPC95733
Intermediate Similarity 0.7538 NPC62101
Intermediate Similarity 0.7537 NPC274732
Intermediate Similarity 0.7537 NPC118419
Intermediate Similarity 0.7536 NPC314682
Intermediate Similarity 0.7519 NPC160193
Intermediate Similarity 0.75 NPC186469
Intermediate Similarity 0.7482 NPC474915
Intermediate Similarity 0.7482 NPC328750
Intermediate Similarity 0.7482 NPC470925
Intermediate Similarity 0.7482 NPC188163
Intermediate Similarity 0.7482 NPC213206
Intermediate Similarity 0.7481 NPC141739
Intermediate Similarity 0.7481 NPC29477
Intermediate Similarity 0.7481 NPC320242
Intermediate Similarity 0.7481 NPC136112
Intermediate Similarity 0.7465 NPC245974
Intermediate Similarity 0.7458 NPC192596
Intermediate Similarity 0.7445 NPC307682
Intermediate Similarity 0.7444 NPC471321
Intermediate Similarity 0.7444 NPC471306
Intermediate Similarity 0.744 NPC303370
Intermediate Similarity 0.7438 NPC97811
Intermediate Similarity 0.7407 NPC471953
Intermediate Similarity 0.7394 NPC110337
Intermediate Similarity 0.7391 NPC231163
Intermediate Similarity 0.7391 NPC318591
Intermediate Similarity 0.7373 NPC51633
Intermediate Similarity 0.7372 NPC11147
Intermediate Similarity 0.7348 NPC110131
Intermediate Similarity 0.7343 NPC296085
Intermediate Similarity 0.7333 NPC470393
Intermediate Similarity 0.7323 NPC323948
Intermediate Similarity 0.7304 NPC471581
Intermediate Similarity 0.7273 NPC185838
Intermediate Similarity 0.7266 NPC193528
Intermediate Similarity 0.7265 NPC95755
Intermediate Similarity 0.7258 NPC166837
Intermediate Similarity 0.7258 NPC21890
Intermediate Similarity 0.7257 NPC177844
Intermediate Similarity 0.7257 NPC99886
Intermediate Similarity 0.7257 NPC259134
Intermediate Similarity 0.7257 NPC8002
Intermediate Similarity 0.7254 NPC476567
Intermediate Similarity 0.7254 NPC136860
Intermediate Similarity 0.7254 NPC128019
Intermediate Similarity 0.725 NPC38079
Intermediate Similarity 0.725 NPC108875
Intermediate Similarity 0.7236 NPC24777
Intermediate Similarity 0.7231 NPC318357
Intermediate Similarity 0.7226 NPC325568
Intermediate Similarity 0.7222 NPC71629
Intermediate Similarity 0.7213 NPC157473
Intermediate Similarity 0.7213 NPC151530
Intermediate Similarity 0.7197 NPC307020
Intermediate Similarity 0.7194 NPC42793
Intermediate Similarity 0.7194 NPC231884
Intermediate Similarity 0.7194 NPC167944
Intermediate Similarity 0.7193 NPC71853
Intermediate Similarity 0.719 NPC473855
Intermediate Similarity 0.7174 NPC29650
Intermediate Similarity 0.7172 NPC321505
Intermediate Similarity 0.7172 NPC476151
Intermediate Similarity 0.7172 NPC210437
Intermediate Similarity 0.7172 NPC253883
Intermediate Similarity 0.7172 NPC16107
Intermediate Similarity 0.7172 NPC95075
Intermediate Similarity 0.7172 NPC106295
Intermediate Similarity 0.7172 NPC144863
Intermediate Similarity 0.7172 NPC90844
Intermediate Similarity 0.7172 NPC191376
Intermediate Similarity 0.7172 NPC51957
Intermediate Similarity 0.7172 NPC179825
Intermediate Similarity 0.7172 NPC476144
Intermediate Similarity 0.7164 NPC301713
Intermediate Similarity 0.7162 NPC206372
Intermediate Similarity 0.7162 NPC203424
Intermediate Similarity 0.7154 NPC41801
Intermediate Similarity 0.7154 NPC146530
Intermediate Similarity 0.7153 NPC470392
Intermediate Similarity 0.7153 NPC130926
Intermediate Similarity 0.7153 NPC97870
Intermediate Similarity 0.7153 NPC247018
Intermediate Similarity 0.7153 NPC307123
Intermediate Similarity 0.7143 NPC155847
Intermediate Similarity 0.7143 NPC289381
Intermediate Similarity 0.7133 NPC135349
Intermediate Similarity 0.7133 NPC247639
Intermediate Similarity 0.7133 NPC25084
Intermediate Similarity 0.7131 NPC176971
Intermediate Similarity 0.7131 NPC113457
Intermediate Similarity 0.713 NPC321956
Intermediate Similarity 0.7123 NPC246587
Intermediate Similarity 0.7123 NPC476571
Intermediate Similarity 0.7123 NPC475959
Intermediate Similarity 0.7123 NPC7467
Intermediate Similarity 0.7123 NPC428
Intermediate Similarity 0.7123 NPC147390
Intermediate Similarity 0.7123 NPC24233
Intermediate Similarity 0.7123 NPC135538
Intermediate Similarity 0.7122 NPC138365
Intermediate Similarity 0.7121 NPC298486
Intermediate Similarity 0.712 NPC266932
Intermediate Similarity 0.7119 NPC470161
Intermediate Similarity 0.7117 NPC125306
Intermediate Similarity 0.7111 NPC251571
Intermediate Similarity 0.7107 NPC283546
Intermediate Similarity 0.7101 NPC132308
Intermediate Similarity 0.7101 NPC160692
Intermediate Similarity 0.7099 NPC83279
Intermediate Similarity 0.7097 NPC474272
Intermediate Similarity 0.7092 NPC36434
Intermediate Similarity 0.709 NPC124776
Intermediate Similarity 0.7086 NPC129603
Intermediate Similarity 0.7083 NPC300166
Intermediate Similarity 0.7075 NPC219162
Intermediate Similarity 0.7075 NPC92541
Intermediate Similarity 0.7075 NPC477565
Intermediate Similarity 0.7075 NPC103379
Intermediate Similarity 0.7073 NPC35543
Intermediate Similarity 0.7073 NPC258171
Intermediate Similarity 0.7071 NPC131204
Intermediate Similarity 0.7071 NPC301050
Intermediate Similarity 0.7071 NPC7018
Intermediate Similarity 0.7071 NPC416184
Intermediate Similarity 0.7059 NPC155838
Intermediate Similarity 0.7049 NPC128730
Intermediate Similarity 0.7049 NPC475269
Intermediate Similarity 0.7049 NPC473393
Intermediate Similarity 0.7042 NPC298821
Intermediate Similarity 0.7034 NPC189908
Intermediate Similarity 0.7034 NPC9373
Intermediate Similarity 0.7027 NPC47672
Intermediate Similarity 0.7021 NPC471316
Intermediate Similarity 0.7021 NPC253429
Intermediate Similarity 0.7016 NPC245115
Intermediate Similarity 0.7016 NPC309982
Intermediate Similarity 0.7016 NPC201959
Intermediate Similarity 0.7007 NPC35961
Intermediate Similarity 0.7007 NPC195749
Intermediate Similarity 0.7007 NPC52029
Intermediate Similarity 0.7 NPC237227
Intermediate Similarity 0.7 NPC233926
Intermediate Similarity 0.7 NPC196708
Intermediate Similarity 0.7 NPC315257
Intermediate Similarity 0.7 NPC471649
Intermediate Similarity 0.7 NPC107101
Remote Similarity 0.6993 NPC123761
Remote Similarity 0.6993 NPC204546
Remote Similarity 0.6992 NPC326447
Remote Similarity 0.6986 NPC473934
Remote Similarity 0.698 NPC326316
Remote Similarity 0.698 NPC81733
Remote Similarity 0.6977 NPC258992
Remote Similarity 0.6974 NPC315707
Remote Similarity 0.6974 NPC78359
Remote Similarity 0.6974 NPC65490
Remote Similarity 0.6974 NPC148014
Remote Similarity 0.6974 NPC40389
Remote Similarity 0.6972 NPC299583
Remote Similarity 0.6967 NPC474603
Remote Similarity 0.6967 NPC241224
Remote Similarity 0.6967 NPC12987
Remote Similarity 0.6966 NPC136951
Remote Similarity 0.6966 NPC161155
Remote Similarity 0.6966 NPC97004
Remote Similarity 0.696 NPC82016
Remote Similarity 0.6959 NPC207824
Remote Similarity 0.6959 NPC258222
Remote Similarity 0.6959 NPC60538

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  256.17
ALogP  -1.3586
MLogP  3.11
XLogP  5.133
HDA  0
HBD  0
Rotatable Bonds  8
TPSA  9.23
RO5 Violation  1