Drug Information

Drug ID:  NPD3672
Drug Name:  Iophendylate
Molecular Formula:  C19H29IO2
Canonical SMILES:  CCOC(=O)CCCCCCCCC(c1ccc(cc1)I)C
Standard InCHI:  InChI=1S/C19H29IO2/c1-3-22-19(21)11-9-7-5-4-6-8-10-16(2)17-12-14-18(20)15-13-17/h12-16H,3-11H2,1-2H3
Standard InCHIKey:  LAYLQVBQIBQVLL-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3672

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 0.8736 NPC294134
High Similarity 0.8721 NPC270507
High Similarity 0.8667 NPC84288
High Similarity 0.8605 NPC323103
High Similarity 0.8605 NPC103387
High Similarity 0.8556 NPC9822
High Similarity 0.8506 NPC288903
High Similarity 0.8506 NPC44830
Intermediate Similarity 0.8372 NPC121800
Intermediate Similarity 0.8333 NPC322387
Intermediate Similarity 0.8316 NPC226041
Intermediate Similarity 0.8315 NPC475710
Intermediate Similarity 0.8261 NPC70940
Intermediate Similarity 0.8261 NPC274455
Intermediate Similarity 0.8261 NPC86670
Intermediate Similarity 0.8256 NPC170484
Intermediate Similarity 0.8161 NPC127343
Intermediate Similarity 0.8152 NPC231591
Intermediate Similarity 0.8144 NPC221825
Intermediate Similarity 0.8144 NPC7435
Intermediate Similarity 0.8023 NPC298023
Intermediate Similarity 0.8 NPC19136
Intermediate Similarity 0.7979 NPC86987
Intermediate Similarity 0.7957 NPC220893
Intermediate Similarity 0.7955 NPC157055
Intermediate Similarity 0.7889 NPC285773
Intermediate Similarity 0.7879 NPC473325
Intermediate Similarity 0.7857 NPC271475
Intermediate Similarity 0.7849 NPC329064
Intermediate Similarity 0.7843 NPC329705
Intermediate Similarity 0.7843 NPC474111
Intermediate Similarity 0.78 NPC474112
Intermediate Similarity 0.7778 NPC146351
Intermediate Similarity 0.7778 NPC230068
Intermediate Similarity 0.7755 NPC477767
Intermediate Similarity 0.7755 NPC270654
Intermediate Similarity 0.7742 NPC89377
Intermediate Similarity 0.7727 NPC103488
Intermediate Similarity 0.7717 NPC95965
Intermediate Similarity 0.77 NPC136810
Intermediate Similarity 0.77 NPC264728
Intermediate Similarity 0.77 NPC128248
Intermediate Similarity 0.77 NPC133809
Intermediate Similarity 0.77 NPC225079
Intermediate Similarity 0.7677 NPC78701
Intermediate Similarity 0.7677 NPC145052
Intermediate Similarity 0.7677 NPC35448
Intermediate Similarity 0.7677 NPC225060
Intermediate Similarity 0.767 NPC142326
Intermediate Similarity 0.767 NPC94751
Intermediate Similarity 0.7642 NPC82899
Intermediate Similarity 0.7642 NPC270699
Intermediate Similarity 0.7619 NPC214067
Intermediate Similarity 0.7619 NPC196246
Intermediate Similarity 0.7604 NPC141607
Intermediate Similarity 0.7604 NPC187725
Intermediate Similarity 0.7604 NPC317645
Intermediate Similarity 0.76 NPC476042
Intermediate Similarity 0.7576 NPC249912
Intermediate Similarity 0.7576 NPC92754
Intermediate Similarity 0.7576 NPC276775
Intermediate Similarity 0.757 NPC128368
Intermediate Similarity 0.7558 NPC271437
Intermediate Similarity 0.7556 NPC285716
Intermediate Similarity 0.7556 NPC17408
Intermediate Similarity 0.7549 NPC301943
Intermediate Similarity 0.7549 NPC474365
Intermediate Similarity 0.7547 NPC1082
Intermediate Similarity 0.7547 NPC305912
Intermediate Similarity 0.7528 NPC76455
Intermediate Similarity 0.7528 NPC137847
Intermediate Similarity 0.7527 NPC58616
Intermediate Similarity 0.7526 NPC77273
Intermediate Similarity 0.7524 NPC469636
Intermediate Similarity 0.7524 NPC10251
Intermediate Similarity 0.7524 NPC17417
Intermediate Similarity 0.75 NPC120393
Intermediate Similarity 0.75 NPC213156
Intermediate Similarity 0.75 NPC240108
Intermediate Similarity 0.75 NPC175393
Intermediate Similarity 0.7476 NPC329282
Intermediate Similarity 0.7475 NPC261947
Intermediate Similarity 0.7475 NPC469893
Intermediate Similarity 0.7474 NPC304760
Intermediate Similarity 0.7473 NPC303245
Intermediate Similarity 0.7471 NPC208075
Intermediate Similarity 0.7453 NPC93084
Intermediate Similarity 0.7453 NPC158854
Intermediate Similarity 0.7453 NPC251854
Intermediate Similarity 0.7451 NPC474820
Intermediate Similarity 0.7451 NPC475978
Intermediate Similarity 0.7449 NPC23453
Intermediate Similarity 0.7444 NPC272260
Intermediate Similarity 0.7442 NPC74458
Intermediate Similarity 0.7429 NPC21929
Intermediate Similarity 0.7429 NPC56493
Intermediate Similarity 0.7426 NPC325497
Intermediate Similarity 0.7416 NPC9796
Intermediate Similarity 0.7416 NPC329318
Intermediate Similarity 0.7404 NPC321670
Intermediate Similarity 0.7404 NPC474307
Intermediate Similarity 0.74 NPC469892
Intermediate Similarity 0.74 NPC469890
Intermediate Similarity 0.74 NPC469891
Intermediate Similarity 0.7396 NPC173443
Intermediate Similarity 0.7379 NPC160382
Intermediate Similarity 0.7379 NPC329556
Intermediate Similarity 0.7374 NPC206764
Intermediate Similarity 0.7374 NPC130398
Intermediate Similarity 0.7374 NPC172925
Intermediate Similarity 0.7368 NPC96625
Intermediate Similarity 0.7363 NPC477703
Intermediate Similarity 0.7358 NPC31274
Intermediate Similarity 0.7358 NPC83628
Intermediate Similarity 0.7358 NPC265407
Intermediate Similarity 0.7356 NPC285679
Intermediate Similarity 0.7353 NPC94487
Intermediate Similarity 0.7353 NPC42211
Intermediate Similarity 0.7353 NPC70624
Intermediate Similarity 0.734 NPC252067
Intermediate Similarity 0.7339 NPC307651
Intermediate Similarity 0.7339 NPC153053
Intermediate Similarity 0.7333 NPC25385
Intermediate Similarity 0.7333 NPC475905
Intermediate Similarity 0.7333 NPC193640
Intermediate Similarity 0.7333 NPC224544
Intermediate Similarity 0.7333 NPC244933
Intermediate Similarity 0.7333 NPC85560
Intermediate Similarity 0.7333 NPC119271
Intermediate Similarity 0.7327 NPC329387
Intermediate Similarity 0.7327 NPC317280
Intermediate Similarity 0.7327 NPC179411
Intermediate Similarity 0.732 NPC110420
Intermediate Similarity 0.732 NPC303967
Intermediate Similarity 0.732 NPC185501
Intermediate Similarity 0.732 NPC67585
Intermediate Similarity 0.7315 NPC280789
Intermediate Similarity 0.7292 NPC477704
Intermediate Similarity 0.7292 NPC477693
Intermediate Similarity 0.729 NPC174099
Intermediate Similarity 0.7282 NPC304873
Intermediate Similarity 0.7273 NPC210092
Intermediate Similarity 0.7255 NPC118343
Intermediate Similarity 0.7253 NPC78517
Intermediate Similarity 0.7253 NPC167577
Intermediate Similarity 0.7248 NPC469547
Intermediate Similarity 0.7245 NPC476484
Intermediate Similarity 0.7245 NPC125226
Intermediate Similarity 0.7238 NPC471186
Intermediate Similarity 0.7238 NPC269457
Intermediate Similarity 0.7234 NPC267704
Intermediate Similarity 0.7232 NPC152812
Intermediate Similarity 0.7232 NPC45794
Intermediate Similarity 0.7228 NPC103048
Intermediate Similarity 0.7222 NPC474157
Intermediate Similarity 0.7222 NPC210089
Intermediate Similarity 0.7212 NPC89886
Intermediate Similarity 0.7196 NPC475282
Intermediate Similarity 0.7196 NPC40178
Intermediate Similarity 0.7184 NPC469481
Intermediate Similarity 0.7174 NPC190567
Intermediate Similarity 0.7172 NPC323164
Intermediate Similarity 0.717 NPC477251
Intermediate Similarity 0.7158 NPC53299
Intermediate Similarity 0.7157 NPC322598
Intermediate Similarity 0.7157 NPC160548
Intermediate Similarity 0.7157 NPC210529
Intermediate Similarity 0.7157 NPC229242
Intermediate Similarity 0.7157 NPC175852
Intermediate Similarity 0.7156 NPC321852
Intermediate Similarity 0.7143 NPC31786
Intermediate Similarity 0.7143 NPC176228
Intermediate Similarity 0.7129 NPC12695
Intermediate Similarity 0.7128 NPC208183
Intermediate Similarity 0.7128 NPC477770
Intermediate Similarity 0.7128 NPC39600
Intermediate Similarity 0.7128 NPC243289
Intermediate Similarity 0.7128 NPC197581
Intermediate Similarity 0.7117 NPC221275
Intermediate Similarity 0.7117 NPC217111
Intermediate Similarity 0.7115 NPC188895
Intermediate Similarity 0.7105 NPC202015
Intermediate Similarity 0.7103 NPC47536
Intermediate Similarity 0.7103 NPC20485
Intermediate Similarity 0.7103 NPC470007
Intermediate Similarity 0.7097 NPC89950
Intermediate Similarity 0.7091 NPC306977
Intermediate Similarity 0.7091 NPC477475
Intermediate Similarity 0.7091 NPC477476
Intermediate Similarity 0.7091 NPC287055
Intermediate Similarity 0.7091 NPC206414
Intermediate Similarity 0.7091 NPC242957
Intermediate Similarity 0.7087 NPC217621
Intermediate Similarity 0.7087 NPC203925
Intermediate Similarity 0.7083 NPC318107
Intermediate Similarity 0.708 NPC76308
Intermediate Similarity 0.708 NPC325295
Intermediate Similarity 0.7075 NPC209632
Intermediate Similarity 0.7071 NPC119631
Intermediate Similarity 0.7071 NPC110704

Drug Structure

External Identifiers

TTD   DIB014937
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  416.12
ALogP  0.3775
MLogP  3.22
XLogP  8.463
HDA  2
HBD  0
Rotatable Bonds  15
TPSA  26.3
RO5 Violation  2