Drug Information

Drug ID:  NPD3763
Drug Name:  
Molecular Formula:  C20H14NO4
Canonical SMILES:  C[n+]1cc2c3OCOc3ccc2c2c1c1cc3OCOc3cc1cc2
Standard InCHI:  InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
Standard InCHIKey:  INVGWHRKADIJHF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3763

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 1.0 NPC46451
High Similarity 0.9846 NPC23614
High Similarity 0.9846 NPC100079
High Similarity 0.9794 NPC235076
High Similarity 0.9641 NPC271215
High Similarity 0.9641 NPC149471
High Similarity 0.9588 NPC188420
High Similarity 0.9453 NPC118121
High Similarity 0.9254 NPC204446
High Similarity 0.9196 NPC171409
High Similarity 0.9196 NPC96405
High Similarity 0.91 NPC296482
High Similarity 0.91 NPC202768
High Similarity 0.91 NPC53069
High Similarity 0.9005 NPC251160
High Similarity 0.8945 NPC135549
High Similarity 0.8883 NPC31930
High Similarity 0.885 NPC313189
High Similarity 0.8832 NPC234197
High Similarity 0.8832 NPC477019
High Similarity 0.875 NPC16452
High Similarity 0.875 NPC476581
High Similarity 0.875 NPC36229
High Similarity 0.85 NPC476582
High Similarity 0.85 NPC476578
High Similarity 0.85 NPC4071
Intermediate Similarity 0.8454 NPC202605
Intermediate Similarity 0.8454 NPC112206
Intermediate Similarity 0.8384 NPC195268
Intermediate Similarity 0.8384 NPC133140
Intermediate Similarity 0.8349 NPC22481
Intermediate Similarity 0.8308 NPC179704
Intermediate Similarity 0.8295 NPC278525
Intermediate Similarity 0.8273 NPC108342
Intermediate Similarity 0.8235 NPC189903
Intermediate Similarity 0.8235 NPC182907
Intermediate Similarity 0.8227 NPC253675
Intermediate Similarity 0.8198 NPC166722
Intermediate Similarity 0.8182 NPC290689
Intermediate Similarity 0.8159 NPC302001
Intermediate Similarity 0.8154 NPC287588
Intermediate Similarity 0.8131 NPC204385
Intermediate Similarity 0.8102 NPC122463
Intermediate Similarity 0.8093 NPC174049
Intermediate Similarity 0.8081 NPC249405
Intermediate Similarity 0.8079 NPC162653
Intermediate Similarity 0.8044 NPC210296
Intermediate Similarity 0.802 NPC206201
Intermediate Similarity 0.8018 NPC210434
Intermediate Similarity 0.8018 NPC124313
Intermediate Similarity 0.8009 NPC84164
Intermediate Similarity 0.8009 NPC207283
Intermediate Similarity 0.7972 NPC208284
Intermediate Similarity 0.7921 NPC312531
Intermediate Similarity 0.7921 NPC474904
Intermediate Similarity 0.7883 NPC24019
Intermediate Similarity 0.787 NPC473513
Intermediate Similarity 0.7845 NPC183537
Intermediate Similarity 0.784 NPC470020
Intermediate Similarity 0.7835 NPC270515
Intermediate Similarity 0.7834 NPC473822
Intermediate Similarity 0.7826 NPC193906
Intermediate Similarity 0.7826 NPC23080
Intermediate Similarity 0.782 NPC304183
Intermediate Similarity 0.7814 NPC162530
Intermediate Similarity 0.7807 NPC217554
Intermediate Similarity 0.7799 NPC295676
Intermediate Similarity 0.7783 NPC284141
Intermediate Similarity 0.7778 NPC255800
Intermediate Similarity 0.7778 NPC96584
Intermediate Similarity 0.7768 NPC201508
Intermediate Similarity 0.7768 NPC77878
Intermediate Similarity 0.7752 NPC173080
Intermediate Similarity 0.7733 NPC233334
Intermediate Similarity 0.7719 NPC11408
Intermediate Similarity 0.7717 NPC148409
Intermediate Similarity 0.7703 NPC212163
Intermediate Similarity 0.7689 NPC156728
Intermediate Similarity 0.7689 NPC244606
Intermediate Similarity 0.7689 NPC285558
Intermediate Similarity 0.7688 NPC285941
Intermediate Similarity 0.7677 NPC312872
Intermediate Similarity 0.767 NPC114335
Intermediate Similarity 0.767 NPC280964
Intermediate Similarity 0.767 NPC141915
Intermediate Similarity 0.7668 NPC214980
Intermediate Similarity 0.7665 NPC90875
Intermediate Similarity 0.7661 NPC170114
Intermediate Similarity 0.765 NPC236668
Intermediate Similarity 0.765 NPC266931
Intermediate Similarity 0.7632 NPC295228
Intermediate Similarity 0.7619 NPC287437
Intermediate Similarity 0.7615 NPC470549
Intermediate Similarity 0.7615 NPC146976
Intermediate Similarity 0.7611 NPC476999
Intermediate Similarity 0.76 NPC476997
Intermediate Similarity 0.7598 NPC473183
Intermediate Similarity 0.7593 NPC11464
Intermediate Similarity 0.7583 NPC11017
Intermediate Similarity 0.7574 NPC190461
Intermediate Similarity 0.7566 NPC476996
Intermediate Similarity 0.7566 NPC476998
Intermediate Similarity 0.7559 NPC475774
Intermediate Similarity 0.7551 NPC24954
Intermediate Similarity 0.7524 NPC224928
Intermediate Similarity 0.7522 NPC476994
Intermediate Similarity 0.7521 NPC132385
Intermediate Similarity 0.7512 NPC123976
Intermediate Similarity 0.7512 NPC167860
Intermediate Similarity 0.7511 NPC470018
Intermediate Similarity 0.7511 NPC15406
Intermediate Similarity 0.7511 NPC200888
Intermediate Similarity 0.7511 NPC473184
Intermediate Similarity 0.75 NPC470931
Intermediate Similarity 0.7488 NPC323345
Intermediate Similarity 0.7488 NPC470164
Intermediate Similarity 0.7478 NPC74575
Intermediate Similarity 0.7467 NPC470889
Intermediate Similarity 0.7467 NPC473182
Intermediate Similarity 0.7465 NPC174672
Intermediate Similarity 0.7465 NPC174758
Intermediate Similarity 0.7444 NPC477533
Intermediate Similarity 0.7443 NPC316981
Intermediate Similarity 0.7434 NPC202503
Intermediate Similarity 0.7434 NPC227908
Intermediate Similarity 0.7427 NPC33902
Intermediate Similarity 0.7427 NPC276674
Intermediate Similarity 0.7422 NPC322482
Intermediate Similarity 0.7419 NPC82548
Intermediate Similarity 0.7411 NPC477559
Intermediate Similarity 0.7411 NPC266753
Intermediate Similarity 0.7411 NPC232924
Intermediate Similarity 0.7411 NPC160298
Intermediate Similarity 0.7411 NPC306902
Intermediate Similarity 0.7404 NPC296742
Intermediate Similarity 0.7401 NPC473185
Intermediate Similarity 0.74 NPC210918
Intermediate Similarity 0.7399 NPC213530
Intermediate Similarity 0.7399 NPC193267
Intermediate Similarity 0.7385 NPC201697
Intermediate Similarity 0.7383 NPC232727
Intermediate Similarity 0.7378 NPC280272
Intermediate Similarity 0.7373 NPC474595
Intermediate Similarity 0.7373 NPC193777
Intermediate Similarity 0.7371 NPC476995
Intermediate Similarity 0.7364 NPC473180
Intermediate Similarity 0.7364 NPC94157
Intermediate Similarity 0.7361 NPC137929
Intermediate Similarity 0.7361 NPC164374
Intermediate Similarity 0.7356 NPC320088
Intermediate Similarity 0.7356 NPC224293
Intermediate Similarity 0.735 NPC476432
Intermediate Similarity 0.735 NPC24264
Intermediate Similarity 0.7348 NPC49547
Intermediate Similarity 0.7346 NPC131017
Intermediate Similarity 0.7336 NPC176538
Intermediate Similarity 0.733 NPC474594
Intermediate Similarity 0.733 NPC478074
Intermediate Similarity 0.7328 NPC470017
Intermediate Similarity 0.7321 NPC112676
Intermediate Similarity 0.7313 NPC247389
Intermediate Similarity 0.7308 NPC69213
Intermediate Similarity 0.7306 NPC469589
Intermediate Similarity 0.7304 NPC475253
Intermediate Similarity 0.7302 NPC267423
Intermediate Similarity 0.73 NPC167546
Intermediate Similarity 0.73 NPC225774
Intermediate Similarity 0.73 NPC16805
Intermediate Similarity 0.73 NPC302527
Intermediate Similarity 0.7296 NPC470022
Intermediate Similarity 0.7293 NPC252251
Intermediate Similarity 0.7286 NPC92111
Intermediate Similarity 0.7284 NPC277351
Intermediate Similarity 0.7277 NPC99891
Intermediate Similarity 0.7273 NPC296527
Intermediate Similarity 0.7273 NPC199667
Intermediate Similarity 0.7269 NPC135887
Intermediate Similarity 0.7269 NPC199277
Intermediate Similarity 0.7265 NPC274982
Intermediate Similarity 0.7264 NPC219341
Intermediate Similarity 0.7256 NPC315957
Intermediate Similarity 0.7244 NPC17565
Intermediate Similarity 0.7243 NPC17677
Intermediate Similarity 0.7238 NPC76748
Intermediate Similarity 0.7235 NPC162484
Intermediate Similarity 0.723 NPC13880
Intermediate Similarity 0.723 NPC251090
Intermediate Similarity 0.723 NPC194967
Intermediate Similarity 0.7229 NPC477531
Intermediate Similarity 0.7228 NPC298979
Intermediate Similarity 0.7227 NPC185782
Intermediate Similarity 0.7227 NPC473181
Intermediate Similarity 0.7217 NPC78284
Intermediate Similarity 0.7217 NPC307963
Intermediate Similarity 0.7217 NPC314954
Intermediate Similarity 0.7214 NPC168409
Intermediate Similarity 0.7212 NPC86078
Intermediate Similarity 0.7208 NPC76079
Intermediate Similarity 0.7208 NPC26850
Intermediate Similarity 0.7207 NPC48353

Drug Structure

External Identifiers

TTD   DNAP001599
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   5154
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  332.09
ALogP  -1.947
MLogP  3.11
XLogP  3.297
HDA  0
HBD  0
Rotatable Bonds  1
TPSA  40.8
RO5 Violation  0