Drug Information

Drug ID:  NPD3943
Drug Name:  
Molecular Formula:  C20H22N2
Canonical SMILES:  CN1CCc2ccccc2Cc2c(CC1)c1ccccc1[nH]2
Standard InCHI:  InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3
Standard InCHIKey:  YEWGIGCYIAMFMA-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3943

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 0.9118 NPC218268
High Similarity 0.9104 NPC475450
High Similarity 0.9044 NPC198988
High Similarity 0.903 NPC22079
High Similarity 0.9015 NPC250361
High Similarity 0.8993 NPC59084
High Similarity 0.8993 NPC2949
High Similarity 0.8955 NPC473587
High Similarity 0.8929 NPC473868
High Similarity 0.8929 NPC63157
High Similarity 0.8889 NPC475428
High Similarity 0.8889 NPC33421
High Similarity 0.8881 NPC473762
High Similarity 0.8841 NPC325252
High Similarity 0.8824 NPC179365
High Similarity 0.8786 NPC73767
High Similarity 0.8786 NPC88097
High Similarity 0.8759 NPC473930
High Similarity 0.8723 NPC469779
High Similarity 0.8723 NPC469768
High Similarity 0.8723 NPC469761
High Similarity 0.8723 NPC469780
High Similarity 0.8723 NPC469783
High Similarity 0.8723 NPC469767
High Similarity 0.8723 NPC469784
High Similarity 0.8712 NPC41174
High Similarity 0.8662 NPC469766
High Similarity 0.8652 NPC312092
High Similarity 0.8652 NPC110126
High Similarity 0.8643 NPC84911
High Similarity 0.863 NPC53947
High Similarity 0.8621 NPC21605
High Similarity 0.8592 NPC115611
High Similarity 0.8571 NPC96102
High Similarity 0.8571 NPC261195
High Similarity 0.8571 NPC29886
High Similarity 0.8552 NPC288838
High Similarity 0.8533 NPC206819
High Similarity 0.8533 NPC56765
High Similarity 0.8533 NPC318065
High Similarity 0.8511 NPC105127
Intermediate Similarity 0.8493 NPC477134
Intermediate Similarity 0.8483 NPC470440
Intermediate Similarity 0.8467 NPC286427
Intermediate Similarity 0.8411 NPC475990
Intermediate Similarity 0.8411 NPC474880
Intermediate Similarity 0.8411 NPC41257
Intermediate Similarity 0.8411 NPC221786
Intermediate Similarity 0.838 NPC125746
Intermediate Similarity 0.8367 NPC201380
Intermediate Similarity 0.8367 NPC179787
Intermediate Similarity 0.8356 NPC314372
Intermediate Similarity 0.8356 NPC204141
Intermediate Similarity 0.8355 NPC44773
Intermediate Similarity 0.8355 NPC229173
Intermediate Similarity 0.8355 NPC215584
Intermediate Similarity 0.8345 NPC190296
Intermediate Similarity 0.8333 NPC279081
Intermediate Similarity 0.8322 NPC470233
Intermediate Similarity 0.8311 NPC321911
Intermediate Similarity 0.8311 NPC2272
Intermediate Similarity 0.8311 NPC37548
Intermediate Similarity 0.8299 NPC63545
Intermediate Similarity 0.8288 NPC242556
Intermediate Similarity 0.8286 NPC82295
Intermediate Similarity 0.8267 NPC325903
Intermediate Similarity 0.8255 NPC105818
Intermediate Similarity 0.8255 NPC24678
Intermediate Similarity 0.8247 NPC90723
Intermediate Similarity 0.8243 NPC469811
Intermediate Similarity 0.8224 NPC216643
Intermediate Similarity 0.8207 NPC284635
Intermediate Similarity 0.8207 NPC230002
Intermediate Similarity 0.8176 NPC143872
Intermediate Similarity 0.817 NPC135141
Intermediate Similarity 0.817 NPC92796
Intermediate Similarity 0.8153 NPC194411
Intermediate Similarity 0.8146 NPC25008
Intermediate Similarity 0.8146 NPC200214
Intermediate Similarity 0.8146 NPC469760
Intermediate Similarity 0.8146 NPC469765
Intermediate Similarity 0.8146 NPC469786
Intermediate Similarity 0.8146 NPC469763
Intermediate Similarity 0.8146 NPC259644
Intermediate Similarity 0.8146 NPC73952
Intermediate Similarity 0.8138 NPC104483
Intermediate Similarity 0.8125 NPC150259
Intermediate Similarity 0.8125 NPC314102
Intermediate Similarity 0.8125 NPC251722
Intermediate Similarity 0.8121 NPC471957
Intermediate Similarity 0.8108 NPC159856
Intermediate Similarity 0.8092 NPC75540
Intermediate Similarity 0.8092 NPC211572
Intermediate Similarity 0.8092 NPC470507
Intermediate Similarity 0.8092 NPC476297
Intermediate Similarity 0.8092 NPC70922
Intermediate Similarity 0.8092 NPC476219
Intermediate Similarity 0.8092 NPC38736
Intermediate Similarity 0.8092 NPC80597
Intermediate Similarity 0.8092 NPC212376
Intermediate Similarity 0.8067 NPC187951
Intermediate Similarity 0.8067 NPC124005
Intermediate Similarity 0.806 NPC81561
Intermediate Similarity 0.8039 NPC285469
Intermediate Similarity 0.8039 NPC184476
Intermediate Similarity 0.8038 NPC474897
Intermediate Similarity 0.8013 NPC148592
Intermediate Similarity 0.8013 NPC271797
Intermediate Similarity 0.8013 NPC21174
Intermediate Similarity 0.8 NPC275305
Intermediate Similarity 0.8 NPC54102
Intermediate Similarity 0.8 NPC162689
Intermediate Similarity 0.8 NPC37423
Intermediate Similarity 0.7987 NPC236711
Intermediate Similarity 0.7985 NPC148140
Intermediate Similarity 0.7974 NPC34844
Intermediate Similarity 0.7973 NPC20144
Intermediate Similarity 0.7961 NPC470823
Intermediate Similarity 0.7949 NPC470203
Intermediate Similarity 0.7922 NPC469785
Intermediate Similarity 0.7914 NPC122718
Intermediate Similarity 0.7908 NPC141926
Intermediate Similarity 0.7901 NPC68354
Intermediate Similarity 0.7898 NPC162799
Intermediate Similarity 0.7898 NPC317105
Intermediate Similarity 0.7885 NPC470204
Intermediate Similarity 0.7871 NPC469762
Intermediate Similarity 0.7862 NPC201700
Intermediate Similarity 0.7862 NPC63751
Intermediate Similarity 0.7857 NPC471458
Intermediate Similarity 0.7853 NPC215795
Intermediate Similarity 0.7853 NPC176199
Intermediate Similarity 0.7843 NPC216713
Intermediate Similarity 0.784 NPC280852
Intermediate Similarity 0.7834 NPC16667
Intermediate Similarity 0.7815 NPC129042
Intermediate Similarity 0.7812 NPC280548
Intermediate Similarity 0.7806 NPC51054
Intermediate Similarity 0.7799 NPC474561
Intermediate Similarity 0.7799 NPC49954
Intermediate Similarity 0.7785 NPC311276
Intermediate Similarity 0.7785 NPC472587
Intermediate Similarity 0.7778 NPC189812
Intermediate Similarity 0.7778 NPC40070
Intermediate Similarity 0.7778 NPC329688
Intermediate Similarity 0.7771 NPC122141
Intermediate Similarity 0.7764 NPC82331
Intermediate Similarity 0.7756 NPC299594
Intermediate Similarity 0.7754 NPC215519
Intermediate Similarity 0.775 NPC317430
Intermediate Similarity 0.7742 NPC207726
Intermediate Similarity 0.7722 NPC282231
Intermediate Similarity 0.7716 NPC472123
Intermediate Similarity 0.7716 NPC477611
Intermediate Similarity 0.7716 NPC161861
Intermediate Similarity 0.7711 NPC19679
Intermediate Similarity 0.7711 NPC470205
Intermediate Similarity 0.7707 NPC6436
Intermediate Similarity 0.7703 NPC169433
Intermediate Similarity 0.7697 NPC314919
Intermediate Similarity 0.7692 NPC141353
Intermediate Similarity 0.7688 NPC109447
Intermediate Similarity 0.7688 NPC160105
Intermediate Similarity 0.7677 NPC232798
Intermediate Similarity 0.7673 NPC40779
Intermediate Similarity 0.7673 NPC247987
Intermediate Similarity 0.7658 NPC473320
Intermediate Similarity 0.7658 NPC279918
Intermediate Similarity 0.7647 NPC470111
Intermediate Similarity 0.7625 NPC274229
Intermediate Similarity 0.7622 NPC474958
Intermediate Similarity 0.7595 NPC67056
Intermediate Similarity 0.7595 NPC474791
Intermediate Similarity 0.7591 NPC476566
Intermediate Similarity 0.7589 NPC46358
Intermediate Similarity 0.7586 NPC282398
Intermediate Similarity 0.7582 NPC316069
Intermediate Similarity 0.7578 NPC49217
Intermediate Similarity 0.7576 NPC59269
Intermediate Similarity 0.7576 NPC151939
Intermediate Similarity 0.7562 NPC8104
Intermediate Similarity 0.7562 NPC271734
Intermediate Similarity 0.7562 NPC149265
Intermediate Similarity 0.7562 NPC194640
Intermediate Similarity 0.756 NPC472294
Intermediate Similarity 0.7547 NPC131718
Intermediate Similarity 0.7546 NPC6982
Intermediate Similarity 0.7532 NPC76982
Intermediate Similarity 0.7531 NPC154293
Intermediate Similarity 0.753 NPC213468
Intermediate Similarity 0.7516 NPC280864
Intermediate Similarity 0.7516 NPC17751
Intermediate Similarity 0.7515 NPC133003
Intermediate Similarity 0.75 NPC34508
Intermediate Similarity 0.75 NPC314603
Intermediate Similarity 0.7485 NPC97343
Intermediate Similarity 0.7485 NPC91179
Intermediate Similarity 0.7485 NPC300688
Intermediate Similarity 0.7484 NPC230869
Intermediate Similarity 0.7483 NPC238499

Drug Structure

External Identifiers

TTD   DCL000862
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   4350931
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  290.18
ALogP  0.5507
MLogP  3.44
XLogP  5.738
HDA  2
HBD  1
Rotatable Bonds  1
TPSA  19.03
RO5 Violation  1