Drug Information

Drug ID:  NPD2170
Drug Name:  
Molecular Formula:  C16H22ClNO
Canonical SMILES:  CN1CCc2c(CC1)c(Cl)ccc2OCC=C(C)C
Standard InCHI:  InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Standard InCHIKey:  MBYSTKNEMJZSIK-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2170

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 0.7698 NPC14287
Intermediate Similarity 0.7222 NPC65490
Intermediate Similarity 0.7222 NPC40389
Intermediate Similarity 0.7222 NPC129603
Intermediate Similarity 0.7222 NPC78359
Intermediate Similarity 0.7222 NPC148014
Intermediate Similarity 0.7222 NPC255253
Intermediate Similarity 0.7222 NPC315707
Intermediate Similarity 0.7162 NPC160193
Intermediate Similarity 0.7134 NPC18402
Intermediate Similarity 0.7134 NPC473934
Intermediate Similarity 0.7027 NPC172403
Remote Similarity 0.6986 NPC217277
Remote Similarity 0.6985 NPC186469
Remote Similarity 0.6968 NPC314682
Remote Similarity 0.6951 NPC323443
Remote Similarity 0.6951 NPC180756
Remote Similarity 0.6948 NPC318591
Remote Similarity 0.6948 NPC231163
Remote Similarity 0.6946 NPC124433
Remote Similarity 0.6946 NPC293871
Remote Similarity 0.6944 NPC321133
Remote Similarity 0.6929 NPC26524
Remote Similarity 0.6923 NPC188163
Remote Similarity 0.6923 NPC213206
Remote Similarity 0.6923 NPC474915
Remote Similarity 0.6923 NPC284842
Remote Similarity 0.6923 NPC328750
Remote Similarity 0.6918 NPC298486
Remote Similarity 0.6908 NPC325568
Remote Similarity 0.6906 NPC21890
Remote Similarity 0.6875 NPC476151
Remote Similarity 0.6875 NPC16107
Remote Similarity 0.6875 NPC210437
Remote Similarity 0.6875 NPC476144
Remote Similarity 0.6875 NPC106295
Remote Similarity 0.6875 NPC51957
Remote Similarity 0.6867 NPC283079
Remote Similarity 0.6855 NPC130926
Remote Similarity 0.6849 NPC211992
Remote Similarity 0.6832 NPC7467
Remote Similarity 0.6829 NPC475557
Remote Similarity 0.6828 NPC471308
Remote Similarity 0.6828 NPC160120
Remote Similarity 0.6828 NPC17388
Remote Similarity 0.6828 NPC289330
Remote Similarity 0.6828 NPC53596
Remote Similarity 0.6815 NPC470925
Remote Similarity 0.6803 NPC151237
Remote Similarity 0.6797 NPC66643
Remote Similarity 0.6797 NPC160692
Remote Similarity 0.6795 NPC210086
Remote Similarity 0.679 NPC477565
Remote Similarity 0.679 NPC103379
Remote Similarity 0.6776 NPC476570
Remote Similarity 0.6774 NPC231884
Remote Similarity 0.6774 NPC42793
Remote Similarity 0.6774 NPC131204
Remote Similarity 0.6774 NPC7018
Remote Similarity 0.6774 NPC301050
Remote Similarity 0.6774 NPC167944
Remote Similarity 0.6757 NPC328267
Remote Similarity 0.675 NPC145304
Remote Similarity 0.675 NPC185838
Remote Similarity 0.6747 NPC133817
Remote Similarity 0.6747 NPC476443
Remote Similarity 0.6731 NPC253429
Remote Similarity 0.673 NPC476567
Remote Similarity 0.673 NPC128019
Remote Similarity 0.673 NPC136860
Remote Similarity 0.6712 NPC263835
Remote Similarity 0.6711 NPC246991
Remote Similarity 0.671 NPC11147
Remote Similarity 0.6707 NPC326316
Remote Similarity 0.6707 NPC81733
Remote Similarity 0.6691 NPC12870
Remote Similarity 0.6691 NPC24327
Remote Similarity 0.6689 NPC471314
Remote Similarity 0.6689 NPC471315
Remote Similarity 0.6686 NPC204908
Remote Similarity 0.6686 NPC83198
Remote Similarity 0.6667 NPC124657
Remote Similarity 0.6667 NPC141739
Remote Similarity 0.6667 NPC191376
Remote Similarity 0.6667 NPC136112
Remote Similarity 0.6667 NPC179825
Remote Similarity 0.6667 NPC321505
Remote Similarity 0.6647 NPC247639
Remote Similarity 0.6647 NPC25084
Remote Similarity 0.6646 NPC274026
Remote Similarity 0.6642 NPC470161
Remote Similarity 0.6642 NPC95755
Remote Similarity 0.6626 NPC428
Remote Similarity 0.6626 NPC135538
Remote Similarity 0.6626 NPC147390
Remote Similarity 0.6626 NPC24233
Remote Similarity 0.6626 NPC475959
Remote Similarity 0.6626 NPC246587
Remote Similarity 0.6626 NPC476571
Remote Similarity 0.6623 NPC8058
Remote Similarity 0.6623 NPC118419
Remote Similarity 0.6623 NPC193334
Remote Similarity 0.6621 NPC120075
Remote Similarity 0.6594 NPC42383
Remote Similarity 0.6587 NPC193949
Remote Similarity 0.6587 NPC93593
Remote Similarity 0.6587 NPC295691
Remote Similarity 0.6587 NPC127674
Remote Similarity 0.6587 NPC278799
Remote Similarity 0.6587 NPC172765
Remote Similarity 0.6587 NPC207757
Remote Similarity 0.6587 NPC2413
Remote Similarity 0.6587 NPC216459
Remote Similarity 0.6587 NPC249797
Remote Similarity 0.6587 NPC39701
Remote Similarity 0.6587 NPC469817
Remote Similarity 0.6587 NPC5238
Remote Similarity 0.6587 NPC41178
Remote Similarity 0.6587 NPC184026
Remote Similarity 0.6587 NPC204828
Remote Similarity 0.6587 NPC110416
Remote Similarity 0.6587 NPC189266
Remote Similarity 0.6587 NPC276588
Remote Similarity 0.6587 NPC54379
Remote Similarity 0.6587 NPC138487
Remote Similarity 0.6585 NPC211296
Remote Similarity 0.6581 NPC139335
Remote Similarity 0.6571 NPC232386
Remote Similarity 0.6571 NPC97811
Remote Similarity 0.6571 NPC152680
Remote Similarity 0.6571 NPC190783
Remote Similarity 0.6566 NPC82285
Remote Similarity 0.6566 NPC133011
Remote Similarity 0.6566 NPC148898
Remote Similarity 0.6561 NPC470249
Remote Similarity 0.6554 NPC212559
Remote Similarity 0.6549 NPC470723
Remote Similarity 0.6548 NPC146288
Remote Similarity 0.6547 NPC326801
Remote Similarity 0.6536 NPC471306
Remote Similarity 0.6536 NPC474498
Remote Similarity 0.6536 NPC471321
Remote Similarity 0.6529 NPC165797
Remote Similarity 0.6527 NPC2295
Remote Similarity 0.6527 NPC477564
Remote Similarity 0.6524 NPC59907
Remote Similarity 0.6524 NPC37144
Remote Similarity 0.6522 NPC264938
Remote Similarity 0.6522 NPC241224
Remote Similarity 0.6519 NPC313918
Remote Similarity 0.6516 NPC474200
Remote Similarity 0.6513 NPC301713
Remote Similarity 0.6509 NPC476572
Remote Similarity 0.6506 NPC476579
Remote Similarity 0.6503 NPC280760
Remote Similarity 0.65 NPC252901
Remote Similarity 0.65 NPC323204
Remote Similarity 0.6494 NPC262641
Remote Similarity 0.6488 NPC78733
Remote Similarity 0.6488 NPC325871
Remote Similarity 0.6488 NPC123323
Remote Similarity 0.6488 NPC99659
Remote Similarity 0.6485 NPC92541
Remote Similarity 0.6485 NPC60538
Remote Similarity 0.6485 NPC219162
Remote Similarity 0.6485 NPC207824
Remote Similarity 0.6483 NPC283169
Remote Similarity 0.6475 NPC470393
Remote Similarity 0.6471 NPC153990
Remote Similarity 0.6471 NPC471576
Remote Similarity 0.6471 NPC118804
Remote Similarity 0.6467 NPC90577
Remote Similarity 0.6467 NPC470924
Remote Similarity 0.6467 NPC114124
Remote Similarity 0.6463 NPC329980
Remote Similarity 0.6456 NPC307682
Remote Similarity 0.6453 NPC475393
Remote Similarity 0.645 NPC147091
Remote Similarity 0.645 NPC170503
Remote Similarity 0.645 NPC31311
Remote Similarity 0.645 NPC203784
Remote Similarity 0.645 NPC234392
Remote Similarity 0.645 NPC126519
Remote Similarity 0.6447 NPC320242
Remote Similarity 0.6447 NPC110131
Remote Similarity 0.6446 NPC192768
Remote Similarity 0.6446 NPC97221
Remote Similarity 0.6446 NPC151895
Remote Similarity 0.6446 NPC220858
Remote Similarity 0.6446 NPC88249
Remote Similarity 0.6443 NPC322569
Remote Similarity 0.6438 NPC312105
Remote Similarity 0.6433 NPC166014
Remote Similarity 0.6433 NPC306902
Remote Similarity 0.6433 NPC160298
Remote Similarity 0.6433 NPC27410
Remote Similarity 0.6433 NPC266753
Remote Similarity 0.6433 NPC477559
Remote Similarity 0.6433 NPC232924
Remote Similarity 0.6429 NPC30416

Drug Structure

External Identifiers

TTD   DNC003797
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   122295
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  279.14
ALogP  2.8079
MLogP  2.89
XLogP  3.386
HDA  1
HBD  0
Rotatable Bonds  7
TPSA  12.47
RO5 Violation  0