Drug Information

Drug ID:  NPD1010
Drug Name:  
Molecular Formula:  C13H15Cl2NO
Canonical SMILES:  C#CCN(CCCOc1ccc(cc1Cl)Cl)C
Standard InCHI:  InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
Standard InCHIKey:  BTFHLQRNAMSNLC-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1010

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 0.7967 NPC161768
Intermediate Similarity 0.7619 NPC204617
Intermediate Similarity 0.75 NPC313918
Intermediate Similarity 0.7324 NPC142803
Intermediate Similarity 0.7258 NPC95977
Intermediate Similarity 0.7176 NPC205213
Intermediate Similarity 0.709 NPC235370
Remote Similarity 0.6923 NPC322888
Remote Similarity 0.6889 NPC255253
Remote Similarity 0.6739 NPC8058
Remote Similarity 0.6714 NPC246991
Remote Similarity 0.6609 NPC125306
Remote Similarity 0.6607 NPC124576
Remote Similarity 0.6573 NPC139335
Remote Similarity 0.6569 NPC90577
Remote Similarity 0.6555 NPC318429
Remote Similarity 0.6535 NPC41594
Remote Similarity 0.6466 NPC23837
Remote Similarity 0.6364 NPC174048
Remote Similarity 0.6325 NPC38459
Remote Similarity 0.632 NPC471576
Remote Similarity 0.6316 NPC26524
Remote Similarity 0.6312 NPC320242
Remote Similarity 0.6312 NPC136112
Remote Similarity 0.6312 NPC141739
Remote Similarity 0.6303 NPC206876
Remote Similarity 0.6286 NPC328267
Remote Similarity 0.6276 NPC193334
Remote Similarity 0.6259 NPC14287
Remote Similarity 0.624 NPC95755
Remote Similarity 0.6231 NPC175931
Remote Similarity 0.622 NPC51633
Remote Similarity 0.6214 NPC151237
Remote Similarity 0.6202 NPC42383
Remote Similarity 0.6198 NPC8002
Remote Similarity 0.6198 NPC99886
Remote Similarity 0.6198 NPC259134
Remote Similarity 0.6198 NPC302546
Remote Similarity 0.6198 NPC177844
Remote Similarity 0.619 NPC314803
Remote Similarity 0.619 NPC132725
Remote Similarity 0.6183 NPC146530
Remote Similarity 0.6172 NPC192596
Remote Similarity 0.6159 NPC256369
Remote Similarity 0.6148 NPC71853
Remote Similarity 0.6138 NPC195902
Remote Similarity 0.6124 NPC283546
Remote Similarity 0.6124 NPC38079
Remote Similarity 0.6124 NPC108875
Remote Similarity 0.6122 NPC66643
Remote Similarity 0.6119 NPC115379
Remote Similarity 0.6116 NPC47422
Remote Similarity 0.6116 NPC157213
Remote Similarity 0.6115 NPC263835
Remote Similarity 0.6115 NPC321133
Remote Similarity 0.6107 NPC186469
Remote Similarity 0.6098 NPC321956
Remote Similarity 0.6084 NPC110131
Remote Similarity 0.6078 NPC182475
Remote Similarity 0.6077 NPC128730
Remote Similarity 0.6077 NPC17537
Remote Similarity 0.6077 NPC473855
Remote Similarity 0.6077 NPC470393
Remote Similarity 0.6063 NPC307039
Remote Similarity 0.6061 NPC309982
Remote Similarity 0.6061 NPC97811
Remote Similarity 0.6054 NPC247018
Remote Similarity 0.6054 NPC307123
Remote Similarity 0.6054 NPC97870
Remote Similarity 0.605 NPC33756
Remote Similarity 0.6045 NPC166837
Remote Similarity 0.6031 NPC176971
Remote Similarity 0.6031 NPC473653
Remote Similarity 0.6016 NPC107101
Remote Similarity 0.6012 NPC475998
Remote Similarity 0.6 NPC67791
Remote Similarity 0.6 NPC280736
Remote Similarity 0.6 NPC471581
Remote Similarity 0.5988 NPC49315
Remote Similarity 0.5986 NPC27198
Remote Similarity 0.5985 NPC194034
Remote Similarity 0.5985 NPC157473
Remote Similarity 0.5985 NPC151530
Remote Similarity 0.5985 NPC244403
Remote Similarity 0.5985 NPC258171
Remote Similarity 0.5969 NPC307425
Remote Similarity 0.5959 NPC283079
Remote Similarity 0.5956 NPC301735
Remote Similarity 0.5954 NPC8302
Remote Similarity 0.5946 NPC274732
Remote Similarity 0.594 NPC291837
Remote Similarity 0.5938 NPC100870
Remote Similarity 0.5935 NPC473874
Remote Similarity 0.5926 NPC266932
Remote Similarity 0.5926 NPC21890
Remote Similarity 0.5923 NPC179686
Remote Similarity 0.5909 NPC326801
Remote Similarity 0.5906 NPC273984
Remote Similarity 0.5903 NPC33402
Remote Similarity 0.5894 NPC307682
Remote Similarity 0.5891 NPC13755
Remote Similarity 0.5882 NPC86087
Remote Similarity 0.5878 NPC70485
Remote Similarity 0.5873 NPC114325
Remote Similarity 0.5873 NPC16649
Remote Similarity 0.587 NPC303370
Remote Similarity 0.5868 NPC151030
Remote Similarity 0.5868 NPC269383
Remote Similarity 0.5859 NPC470161
Remote Similarity 0.5859 NPC175298
Remote Similarity 0.5857 NPC101503
Remote Similarity 0.5855 NPC318591
Remote Similarity 0.5855 NPC231163
Remote Similarity 0.5852 NPC88868
Remote Similarity 0.5852 NPC231251
Remote Similarity 0.5852 NPC46844
Remote Similarity 0.5852 NPC25067
Remote Similarity 0.5846 NPC84325
Remote Similarity 0.5839 NPC91452
Remote Similarity 0.5833 NPC473393
Remote Similarity 0.5833 NPC238115
Remote Similarity 0.5833 NPC217277
Remote Similarity 0.5828 NPC56379
Remote Similarity 0.5822 NPC218323
Remote Similarity 0.5809 NPC55300
Remote Similarity 0.5804 NPC42644
Remote Similarity 0.5802 NPC305205
Remote Similarity 0.5789 NPC326447
Remote Similarity 0.5786 NPC142042
Remote Similarity 0.5782 NPC172403
Remote Similarity 0.5778 NPC149545
Remote Similarity 0.5769 NPC155847
Remote Similarity 0.5769 NPC289381
Remote Similarity 0.5766 NPC165646
Remote Similarity 0.5764 NPC298486
Remote Similarity 0.5758 NPC109637
Remote Similarity 0.5747 NPC86678
Remote Similarity 0.5735 NPC226914
Remote Similarity 0.5735 NPC106141
Remote Similarity 0.5725 NPC310905
Remote Similarity 0.5725 NPC12714
Remote Similarity 0.5725 NPC264782
Remote Similarity 0.5725 NPC90903
Remote Similarity 0.5725 NPC300166
Remote Similarity 0.5724 NPC320287
Remote Similarity 0.5714 NPC475269
Remote Similarity 0.5706 NPC282294
Remote Similarity 0.5705 NPC200555
Remote Similarity 0.5705 NPC196026
Remote Similarity 0.5704 NPC43275
Remote Similarity 0.5704 NPC146096
Remote Similarity 0.5695 NPC76453
Remote Similarity 0.5693 NPC245552
Remote Similarity 0.5683 NPC161696
Remote Similarity 0.5683 NPC252004
Remote Similarity 0.5683 NPC235250
Remote Similarity 0.5682 NPC319933
Remote Similarity 0.5682 NPC24327
Remote Similarity 0.5682 NPC298224
Remote Similarity 0.5682 NPC12870
Remote Similarity 0.5677 NPC212850
Remote Similarity 0.5677 NPC72636
Remote Similarity 0.5677 NPC189724
Remote Similarity 0.5677 NPC45134
Remote Similarity 0.5677 NPC258837
Remote Similarity 0.5677 NPC83289
Remote Similarity 0.5674 NPC323948
Remote Similarity 0.5674 NPC120075
Remote Similarity 0.5664 NPC471308
Remote Similarity 0.5664 NPC17388
Remote Similarity 0.5664 NPC53596
Remote Similarity 0.5664 NPC289330
Remote Similarity 0.5664 NPC160120
Remote Similarity 0.5662 NPC259554
Remote Similarity 0.566 NPC296085
Remote Similarity 0.5659 NPC325499
Remote Similarity 0.5649 NPC156768
Remote Similarity 0.5649 NPC316797
Remote Similarity 0.5641 NPC252901
Remote Similarity 0.5639 NPC241224
Remote Similarity 0.5639 NPC474603
Remote Similarity 0.5639 NPC12987
Remote Similarity 0.5639 NPC292792
Remote Similarity 0.5639 NPC38209
Remote Similarity 0.5639 NPC2518
Remote Similarity 0.5632 NPC263507
Remote Similarity 0.5632 NPC271958
Remote Similarity 0.5632 NPC134413
Remote Similarity 0.5632 NPC45112
Remote Similarity 0.563 NPC227894
Remote Similarity 0.563 NPC251306
Remote Similarity 0.5629 NPC470392
Remote Similarity 0.5629 NPC11173
Remote Similarity 0.5629 NPC118419
Remote Similarity 0.5629 NPC471953
Remote Similarity 0.5625 NPC83279
Remote Similarity 0.5625 NPC318357
Remote Similarity 0.562 NPC43411
Remote Similarity 0.5616 NPC211218
Remote Similarity 0.5614 NPC215445

Drug Structure

External Identifiers

TTD   DAP001361
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   4380
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  271.05
ALogP  1.9617
MLogP  2.45
XLogP  3.023
HDA  1
HBD  0
Rotatable Bonds  9
TPSA  12.47
RO5 Violation  0