Drug Information

Drug ID:  NPD1744
Drug Name:  Fabomotizole
Molecular Formula:  C15H21N3O2S
Canonical SMILES:  CCOc1ccc2c(c1)[nH]c(n2)SCCN1CCOCC1
Standard InCHI:  InChI=1S/C15H21N3O2S/c1-2-20-12-3-4-13-14(11-12)17-15(16-13)21-10-7-18-5-8-19-9-6-18/h3-4,11H,2,5-10H2,1H3,(H,16,17)
Standard InCHIKey:  WWNUCVSRRUDYPP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1744

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 0.8455 NPC316756
Intermediate Similarity 0.7703 NPC187145
Intermediate Similarity 0.7304 NPC118776
Intermediate Similarity 0.7296 NPC285635
Intermediate Similarity 0.7129 NPC258773
Intermediate Similarity 0.7114 NPC1527
Intermediate Similarity 0.7095 NPC110741
Remote Similarity 0.6946 NPC39092
Remote Similarity 0.6895 NPC232727
Remote Similarity 0.6891 NPC30540
Remote Similarity 0.6858 NPC469592
Remote Similarity 0.6858 NPC471080
Remote Similarity 0.6849 NPC19872
Remote Similarity 0.6849 NPC315957
Remote Similarity 0.6849 NPC176538
Remote Similarity 0.6849 NPC121772
Remote Similarity 0.6816 NPC56271
Remote Similarity 0.678 NPC160666
Remote Similarity 0.6754 NPC50511
Remote Similarity 0.6745 NPC84478
Remote Similarity 0.6739 NPC469594
Remote Similarity 0.6728 NPC84853
Remote Similarity 0.6698 NPC176127
Remote Similarity 0.6697 NPC329747
Remote Similarity 0.6696 NPC471736
Remote Similarity 0.6695 NPC315822
Remote Similarity 0.6682 NPC223427
Remote Similarity 0.6667 NPC26679
Remote Similarity 0.6653 NPC150447
Remote Similarity 0.6652 NPC167860
Remote Similarity 0.6652 NPC187558
Remote Similarity 0.6652 NPC152768
Remote Similarity 0.6652 NPC148183
Remote Similarity 0.6652 NPC123976
Remote Similarity 0.6651 NPC161887
Remote Similarity 0.6651 NPC74382
Remote Similarity 0.6651 NPC206251
Remote Similarity 0.6637 NPC475910
Remote Similarity 0.6633 NPC42483
Remote Similarity 0.6622 NPC329793
Remote Similarity 0.6617 NPC36168
Remote Similarity 0.6608 NPC185782
Remote Similarity 0.6607 NPC162484
Remote Similarity 0.6607 NPC476138
Remote Similarity 0.6607 NPC245816
Remote Similarity 0.6592 NPC470586
Remote Similarity 0.6587 NPC476518
Remote Similarity 0.6581 NPC310118
Remote Similarity 0.6577 NPC18487
Remote Similarity 0.6573 NPC219963
Remote Similarity 0.6573 NPC472031
Remote Similarity 0.6573 NPC472066
Remote Similarity 0.6573 NPC472067
Remote Similarity 0.6567 NPC213530
Remote Similarity 0.6567 NPC193267
Remote Similarity 0.6565 NPC476287
Remote Similarity 0.6564 NPC308392
Remote Similarity 0.6564 NPC476465
Remote Similarity 0.656 NPC92111
Remote Similarity 0.6559 NPC472068
Remote Similarity 0.6555 NPC314954
Remote Similarity 0.6555 NPC121658
Remote Similarity 0.6555 NPC14651
Remote Similarity 0.6545 NPC131017
Remote Similarity 0.6544 NPC224327
Remote Similarity 0.6532 NPC72211
Remote Similarity 0.6524 NPC314557
Remote Similarity 0.6522 NPC471603
Remote Similarity 0.6516 NPC13880
Remote Similarity 0.6514 NPC134079
Remote Similarity 0.6514 NPC76748
Remote Similarity 0.6513 NPC110151
Remote Similarity 0.6511 NPC60621
Remote Similarity 0.6504 NPC285558
Remote Similarity 0.65 NPC307963
Remote Similarity 0.6495 NPC266551
Remote Similarity 0.6495 NPC216159
Remote Similarity 0.6486 NPC267928
Remote Similarity 0.6485 NPC471762
Remote Similarity 0.6485 NPC66777
Remote Similarity 0.6481 NPC305984
Remote Similarity 0.6481 NPC20249
Remote Similarity 0.6473 NPC469554
Remote Similarity 0.6468 NPC296527
Remote Similarity 0.6463 NPC469589
Remote Similarity 0.6463 NPC295452
Remote Similarity 0.6463 NPC171393
Remote Similarity 0.6462 NPC315715
Remote Similarity 0.6453 NPC303658
Remote Similarity 0.6445 NPC111624
Remote Similarity 0.6444 NPC157931
Remote Similarity 0.6441 NPC251090
Remote Similarity 0.6441 NPC70259
Remote Similarity 0.6438 NPC470799
Remote Similarity 0.6438 NPC8022
Remote Similarity 0.6435 NPC471304
Remote Similarity 0.6432 NPC260434
Remote Similarity 0.6426 NPC250178
Remote Similarity 0.6425 NPC79911
Remote Similarity 0.6407 NPC242923
Remote Similarity 0.6404 NPC472111
Remote Similarity 0.6402 NPC153467
Remote Similarity 0.6402 NPC227908
Remote Similarity 0.64 NPC249040
Remote Similarity 0.6396 NPC43787
Remote Similarity 0.6396 NPC205934
Remote Similarity 0.6391 NPC174672
Remote Similarity 0.6391 NPC201697
Remote Similarity 0.639 NPC115595
Remote Similarity 0.6387 NPC122436
Remote Similarity 0.6377 NPC120798
Remote Similarity 0.6372 NPC222592
Remote Similarity 0.6372 NPC168486
Remote Similarity 0.6371 NPC477795
Remote Similarity 0.6371 NPC477806
Remote Similarity 0.6371 NPC477805
Remote Similarity 0.6371 NPC477796
Remote Similarity 0.6367 NPC184680
Remote Similarity 0.6364 NPC475253
Remote Similarity 0.6364 NPC5145
Remote Similarity 0.636 NPC21638
Remote Similarity 0.6352 NPC478074
Remote Similarity 0.6351 NPC226202
Remote Similarity 0.6344 NPC291535
Remote Similarity 0.6344 NPC475085
Remote Similarity 0.6344 NPC475112
Remote Similarity 0.6344 NPC135887
Remote Similarity 0.6344 NPC199277
Remote Similarity 0.6341 NPC470785
Remote Similarity 0.6339 NPC243834
Remote Similarity 0.6339 NPC70956
Remote Similarity 0.6337 NPC101543
Remote Similarity 0.6332 NPC476106
Remote Similarity 0.6329 NPC86078
Remote Similarity 0.6329 NPC472099
Remote Similarity 0.632 NPC174758
Remote Similarity 0.6316 NPC471614
Remote Similarity 0.6314 NPC96321
Remote Similarity 0.6314 NPC473041
Remote Similarity 0.6309 NPC94157
Remote Similarity 0.6309 NPC48353
Remote Similarity 0.6309 NPC316981
Remote Similarity 0.6304 NPC193777
Remote Similarity 0.63 NPC267423
Remote Similarity 0.63 NPC476044
Remote Similarity 0.6296 NPC21461
Remote Similarity 0.6293 NPC113369
Remote Similarity 0.6288 NPC470930
Remote Similarity 0.6287 NPC308906
Remote Similarity 0.6284 NPC284678
Remote Similarity 0.6277 NPC287208
Remote Similarity 0.6277 NPC82548
Remote Similarity 0.6276 NPC280272
Remote Similarity 0.6275 NPC470784
Remote Similarity 0.6268 NPC177404
Remote Similarity 0.6266 NPC208284
Remote Similarity 0.6261 NPC477533
Remote Similarity 0.6244 NPC242928
Remote Similarity 0.624 NPC473185
Remote Similarity 0.624 NPC257851
Remote Similarity 0.6239 NPC264176
Remote Similarity 0.6239 NPC472098
Remote Similarity 0.6229 NPC288349
Remote Similarity 0.6229 NPC170114
Remote Similarity 0.6222 NPC242209
Remote Similarity 0.6217 NPC475070
Remote Similarity 0.6214 NPC194740
Remote Similarity 0.6214 NPC26872
Remote Similarity 0.6211 NPC128823
Remote Similarity 0.6204 NPC283152
Remote Similarity 0.6194 NPC295228
Remote Similarity 0.6192 NPC132642
Remote Similarity 0.6186 NPC95898
Remote Similarity 0.6186 NPC470549
Remote Similarity 0.6183 NPC130570
Remote Similarity 0.6176 NPC114209
Remote Similarity 0.6175 NPC72980
Remote Similarity 0.6171 NPC472289
Remote Similarity 0.616 NPC274982
Remote Similarity 0.6154 NPC315257
Remote Similarity 0.6151 NPC292958
Remote Similarity 0.6148 NPC303374
Remote Similarity 0.6145 NPC101350
Remote Similarity 0.6133 NPC279401
Remote Similarity 0.6133 NPC79293
Remote Similarity 0.6133 NPC106937
Remote Similarity 0.6132 NPC60006
Remote Similarity 0.613 NPC295898
Remote Similarity 0.6126 NPC66083
Remote Similarity 0.6119 NPC314394
Remote Similarity 0.6119 NPC474798
Remote Similarity 0.6106 NPC280638
Remote Similarity 0.6104 NPC476098
Remote Similarity 0.6104 NPC235685
Remote Similarity 0.61 NPC17305
Remote Similarity 0.61 NPC477532
Remote Similarity 0.6094 NPC249583
Remote Similarity 0.6093 NPC476688
Remote Similarity 0.6093 NPC476686
Remote Similarity 0.6093 NPC105758

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  307.14
ALogP  0.2975
MLogP  2.45
XLogP  1.847
HDA  4
HBD  1
Rotatable Bonds  7
TPSA  75.68
RO5 Violation  0