Drug Information

Drug ID:  NPD2557
Drug Name:  
Molecular Formula:  C17H21NO
Canonical SMILES:  CN(CCOc1ccccc1Cc1ccccc1)C
Standard InCHI:  InChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
Standard InCHIKey:  IZRPKIZLIFYYKR-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2557

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 0.8898 NPC255253
High Similarity 0.8636 NPC326801
High Similarity 0.8519 NPC316797
High Similarity 0.8505 NPC313918
Intermediate Similarity 0.8165 NPC95755
Intermediate Similarity 0.813 NPC328267
Intermediate Similarity 0.8099 NPC263835
Intermediate Similarity 0.8053 NPC475269
Intermediate Similarity 0.8017 NPC256369
Intermediate Similarity 0.8017 NPC95977
Intermediate Similarity 0.8 NPC136112
Intermediate Similarity 0.8 NPC141739
Intermediate Similarity 0.7966 NPC26524
Intermediate Similarity 0.7951 NPC321133
Intermediate Similarity 0.7928 NPC471576
Intermediate Similarity 0.7913 NPC186469
Intermediate Similarity 0.7895 NPC470393
Intermediate Similarity 0.7879 NPC318591
Intermediate Similarity 0.7879 NPC231163
Intermediate Similarity 0.7869 NPC59561
Intermediate Similarity 0.7869 NPC172253
Intermediate Similarity 0.784 NPC211218
Intermediate Similarity 0.7838 NPC470161
Intermediate Similarity 0.7826 NPC113457
Intermediate Similarity 0.7812 NPC283079
Intermediate Similarity 0.7807 NPC38079
Intermediate Similarity 0.7807 NPC108875
Intermediate Similarity 0.7788 NPC300166
Intermediate Similarity 0.7778 NPC474272
Intermediate Similarity 0.7761 NPC212850
Intermediate Similarity 0.7761 NPC189724
Intermediate Similarity 0.7761 NPC83289
Intermediate Similarity 0.7739 NPC473855
Intermediate Similarity 0.7724 NPC43275
Intermediate Similarity 0.7719 NPC24327
Intermediate Similarity 0.7719 NPC192596
Intermediate Similarity 0.7719 NPC12870
Intermediate Similarity 0.7717 NPC320242
Intermediate Similarity 0.7706 NPC321956
Intermediate Similarity 0.7686 NPC303370
Intermediate Similarity 0.7667 NPC141003
Intermediate Similarity 0.7667 NPC35344
Intermediate Similarity 0.7647 NPC166837
Intermediate Similarity 0.7638 NPC62101
Intermediate Similarity 0.7638 NPC95733
Intermediate Similarity 0.7632 NPC51633
Intermediate Similarity 0.7619 NPC471315
Intermediate Similarity 0.7619 NPC36016
Intermediate Similarity 0.7619 NPC100099
Intermediate Similarity 0.7619 NPC188997
Intermediate Similarity 0.7619 NPC150026
Intermediate Similarity 0.7619 NPC471314
Intermediate Similarity 0.7615 NPC71853
Intermediate Similarity 0.7607 NPC194034
Intermediate Similarity 0.76 NPC212559
Intermediate Similarity 0.7586 NPC42383
Intermediate Similarity 0.7578 NPC29477
Intermediate Similarity 0.7568 NPC471581
Intermediate Similarity 0.7563 NPC2682
Intermediate Similarity 0.7563 NPC475852
Intermediate Similarity 0.7559 NPC261992
Intermediate Similarity 0.7559 NPC76465
Intermediate Similarity 0.7559 NPC38761
Intermediate Similarity 0.7542 NPC97811
Intermediate Similarity 0.7542 NPC201959
Intermediate Similarity 0.7542 NPC75440
Intermediate Similarity 0.7541 NPC283169
Intermediate Similarity 0.754 NPC54972
Intermediate Similarity 0.7536 NPC247298
Intermediate Similarity 0.7523 NPC177844
Intermediate Similarity 0.7523 NPC8002
Intermediate Similarity 0.7523 NPC99886
Intermediate Similarity 0.7523 NPC259134
Intermediate Similarity 0.7521 NPC90903
Intermediate Similarity 0.75 NPC474200
Intermediate Similarity 0.75 NPC106914
Intermediate Similarity 0.75 NPC86502
Intermediate Similarity 0.75 NPC197351
Intermediate Similarity 0.75 NPC256015
Intermediate Similarity 0.75 NPC241224
Intermediate Similarity 0.75 NPC246648
Intermediate Similarity 0.75 NPC294156
Intermediate Similarity 0.75 NPC471953
Intermediate Similarity 0.75 NPC274732
Intermediate Similarity 0.75 NPC283616
Intermediate Similarity 0.75 NPC134195
Intermediate Similarity 0.748 NPC85292
Intermediate Similarity 0.748 NPC229147
Intermediate Similarity 0.748 NPC54507
Intermediate Similarity 0.7479 NPC149545
Intermediate Similarity 0.7478 NPC84325
Intermediate Similarity 0.7459 NPC161696
Intermediate Similarity 0.7458 NPC157473
Intermediate Similarity 0.7458 NPC151530
Intermediate Similarity 0.7456 NPC100870
Intermediate Similarity 0.7442 NPC285040
Intermediate Similarity 0.7442 NPC102540
Intermediate Similarity 0.7442 NPC188022
Intermediate Similarity 0.7442 NPC81641
Intermediate Similarity 0.7442 NPC103420
Intermediate Similarity 0.7442 NPC17809
Intermediate Similarity 0.744 NPC295259
Intermediate Similarity 0.744 NPC98748
Intermediate Similarity 0.744 NPC32152
Intermediate Similarity 0.7438 NPC474920
Intermediate Similarity 0.7438 NPC280760
Intermediate Similarity 0.7429 NPC245974
Intermediate Similarity 0.7419 NPC69261
Intermediate Similarity 0.7419 NPC323948
Intermediate Similarity 0.7419 NPC33270
Intermediate Similarity 0.7419 NPC25648
Intermediate Similarity 0.7417 NPC106141
Intermediate Similarity 0.7417 NPC473809
Intermediate Similarity 0.7402 NPC475839
Intermediate Similarity 0.7398 NPC808
Intermediate Similarity 0.7398 NPC473718
Intermediate Similarity 0.7398 NPC301321
Intermediate Similarity 0.7398 NPC464
Intermediate Similarity 0.7398 NPC185541
Intermediate Similarity 0.7395 NPC146530
Intermediate Similarity 0.7385 NPC283049
Intermediate Similarity 0.7385 NPC50315
Intermediate Similarity 0.7385 NPC218323
Intermediate Similarity 0.7385 NPC230479
Intermediate Similarity 0.7385 NPC26879
Intermediate Similarity 0.7385 NPC276212
Intermediate Similarity 0.7383 NPC125306
Intermediate Similarity 0.7381 NPC93398
Intermediate Similarity 0.7381 NPC8283
Intermediate Similarity 0.7381 NPC474131
Intermediate Similarity 0.7381 NPC232295
Intermediate Similarity 0.7381 NPC258979
Intermediate Similarity 0.7377 NPC165106
Intermediate Similarity 0.7373 NPC135464
Intermediate Similarity 0.7373 NPC176971
Intermediate Similarity 0.7373 NPC92623
Intermediate Similarity 0.7373 NPC30416
Intermediate Similarity 0.7368 NPC118419
Intermediate Similarity 0.7368 NPC97870
Intermediate Similarity 0.7368 NPC247018
Intermediate Similarity 0.7368 NPC307123
Intermediate Similarity 0.736 NPC190514
Intermediate Similarity 0.736 NPC131118
Intermediate Similarity 0.736 NPC74821
Intermediate Similarity 0.7355 NPC266932
Intermediate Similarity 0.7355 NPC21890
Intermediate Similarity 0.7355 NPC470723
Intermediate Similarity 0.735 NPC283546
Intermediate Similarity 0.7339 NPC312105
Intermediate Similarity 0.7339 NPC9341
Intermediate Similarity 0.7339 NPC81067
Intermediate Similarity 0.7339 NPC69539
Intermediate Similarity 0.7339 NPC150624
Intermediate Similarity 0.7328 NPC172403
Intermediate Similarity 0.7328 NPC307425
Intermediate Similarity 0.7328 NPC98745
Intermediate Similarity 0.7328 NPC149796
Intermediate Similarity 0.7323 NPC322569
Intermediate Similarity 0.7323 NPC131868
Intermediate Similarity 0.7323 NPC83279
Intermediate Similarity 0.7311 NPC233320
Intermediate Similarity 0.7311 NPC35543
Intermediate Similarity 0.7311 NPC258171
Intermediate Similarity 0.7302 NPC234956
Intermediate Similarity 0.7302 NPC163036
Intermediate Similarity 0.7302 NPC471449
Intermediate Similarity 0.7302 NPC184302
Intermediate Similarity 0.7302 NPC51341
Intermediate Similarity 0.7288 NPC139891
Intermediate Similarity 0.7288 NPC233396
Intermediate Similarity 0.7288 NPC154899
Intermediate Similarity 0.7288 NPC8302
Intermediate Similarity 0.7288 NPC473393
Intermediate Similarity 0.7288 NPC128730
Intermediate Similarity 0.7287 NPC315807
Intermediate Similarity 0.728 NPC263754
Intermediate Similarity 0.728 NPC238176
Intermediate Similarity 0.728 NPC187993
Intermediate Similarity 0.728 NPC183154
Intermediate Similarity 0.7273 NPC222572
Intermediate Similarity 0.7273 NPC303521
Intermediate Similarity 0.7273 NPC274717
Intermediate Similarity 0.7273 NPC87224
Intermediate Similarity 0.7273 NPC25067
Intermediate Similarity 0.7273 NPC31707
Intermediate Similarity 0.7273 NPC53986
Intermediate Similarity 0.7273 NPC88868
Intermediate Similarity 0.7273 NPC38664
Intermediate Similarity 0.7273 NPC231251
Intermediate Similarity 0.7266 NPC314329
Intermediate Similarity 0.7266 NPC251259
Intermediate Similarity 0.7266 NPC193364
Intermediate Similarity 0.7266 NPC127389
Intermediate Similarity 0.7266 NPC290451
Intermediate Similarity 0.7258 NPC473264
Intermediate Similarity 0.7258 NPC475815
Intermediate Similarity 0.7258 NPC51345
Intermediate Similarity 0.7258 NPC53906
Intermediate Similarity 0.7258 NPC47194
Intermediate Similarity 0.7252 NPC301713

Drug Structure

External Identifiers

TTD   DNC005180
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   7077
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  255.16
ALogP  0.5431
MLogP  3.11
XLogP  6.004
HDA  1
HBD  0
Rotatable Bonds  8
TPSA  12.47
RO5 Violation  1