Drug Information

Drug ID:  NPD1912
Drug Name:  Voriconazole
Molecular Formula:  C16H14F3N5O
Canonical SMILES:  Fc1ccc(c(c1)F)[C@]([C@H](c1ncncc1F)C)(Cn1cncn1)O
Standard InCHI:  InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
Standard InCHIKey:  BCEHBSKCWLPMDN-MGPLVRAMSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1912

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 0.7749 NPC472289
Intermediate Similarity 0.738 NPC164664
Intermediate Similarity 0.7308 NPC471603
Intermediate Similarity 0.7245 NPC254762
Intermediate Similarity 0.7209 NPC130570
Intermediate Similarity 0.7068 NPC105758
Intermediate Similarity 0.7068 NPC476686
Intermediate Similarity 0.7068 NPC476688
Intermediate Similarity 0.7053 NPC278874
Intermediate Similarity 0.7031 NPC208060
Intermediate Similarity 0.7021 NPC224632
Remote Similarity 0.699 NPC477891
Remote Similarity 0.6984 NPC97367
Remote Similarity 0.6907 NPC317054
Remote Similarity 0.6904 NPC144114
Remote Similarity 0.6884 NPC62995
Remote Similarity 0.6869 NPC48938
Remote Similarity 0.6833 NPC132631
Remote Similarity 0.6833 NPC103687
Remote Similarity 0.6791 NPC282247
Remote Similarity 0.6789 NPC131718
Remote Similarity 0.6786 NPC150048
Remote Similarity 0.6786 NPC203754
Remote Similarity 0.6782 NPC230805
Remote Similarity 0.6772 NPC129721
Remote Similarity 0.6771 NPC471178
Remote Similarity 0.6739 NPC295452
Remote Similarity 0.6739 NPC171393
Remote Similarity 0.6736 NPC49217
Remote Similarity 0.6718 NPC158129
Remote Similarity 0.6712 NPC250178
Remote Similarity 0.6698 NPC242923
Remote Similarity 0.6667 NPC242209
Remote Similarity 0.6667 NPC471177
Remote Similarity 0.6667 NPC124542
Remote Similarity 0.6667 NPC59779
Remote Similarity 0.6667 NPC39092
Remote Similarity 0.6652 NPC107160
Remote Similarity 0.665 NPC329541
Remote Similarity 0.6649 NPC98187
Remote Similarity 0.6632 NPC162268
Remote Similarity 0.6632 NPC102423
Remote Similarity 0.6609 NPC30540
Remote Similarity 0.6603 NPC212213
Remote Similarity 0.6591 NPC212125
Remote Similarity 0.6588 NPC54537
Remote Similarity 0.6584 NPC284678
Remote Similarity 0.6571 NPC476167
Remote Similarity 0.6564 NPC160666
Remote Similarity 0.6564 NPC49954
Remote Similarity 0.6564 NPC474561
Remote Similarity 0.6564 NPC160105
Remote Similarity 0.6552 NPC62510
Remote Similarity 0.6552 NPC15102
Remote Similarity 0.6546 NPC473057
Remote Similarity 0.6546 NPC194640
Remote Similarity 0.6543 NPC282531
Remote Similarity 0.6538 NPC133366
Remote Similarity 0.6536 NPC256893
Remote Similarity 0.6533 NPC134586
Remote Similarity 0.6524 NPC192315
Remote Similarity 0.6524 NPC265576
Remote Similarity 0.6522 NPC324149
Remote Similarity 0.6515 NPC314603
Remote Similarity 0.6515 NPC313791
Remote Similarity 0.6515 NPC471294
Remote Similarity 0.651 NPC212742
Remote Similarity 0.6502 NPC284559
Remote Similarity 0.6502 NPC207851
Remote Similarity 0.6502 NPC204717
Remote Similarity 0.65 NPC211997
Remote Similarity 0.6495 NPC282231
Remote Similarity 0.6495 NPC475070
Remote Similarity 0.6485 NPC233936
Remote Similarity 0.648 NPC108469
Remote Similarity 0.6479 NPC328596
Remote Similarity 0.6479 NPC328318
Remote Similarity 0.6479 NPC57398
Remote Similarity 0.6471 NPC314002
Remote Similarity 0.6468 NPC54981
Remote Similarity 0.6462 NPC476118
Remote Similarity 0.6458 NPC141353
Remote Similarity 0.6453 NPC220765
Remote Similarity 0.6447 NPC69843
Remote Similarity 0.6447 NPC63751
Remote Similarity 0.6445 NPC239954
Remote Similarity 0.6443 NPC279918
Remote Similarity 0.6442 NPC477166
Remote Similarity 0.6442 NPC304187
Remote Similarity 0.6442 NPC99666
Remote Similarity 0.644 NPC73952
Remote Similarity 0.644 NPC25008
Remote Similarity 0.644 NPC469786
Remote Similarity 0.644 NPC469763
Remote Similarity 0.644 NPC469760
Remote Similarity 0.644 NPC469765
Remote Similarity 0.644 NPC259644
Remote Similarity 0.6439 NPC171171
Remote Similarity 0.6435 NPC166492
Remote Similarity 0.6435 NPC473362
Remote Similarity 0.6429 NPC473317
Remote Similarity 0.6429 NPC472193
Remote Similarity 0.6425 NPC95783
Remote Similarity 0.6422 NPC5145
Remote Similarity 0.6419 NPC470505
Remote Similarity 0.6419 NPC470500
Remote Similarity 0.6418 NPC59269
Remote Similarity 0.6414 NPC314940
Remote Similarity 0.6414 NPC473764
Remote Similarity 0.6411 NPC198673
Remote Similarity 0.6411 NPC474177
Remote Similarity 0.6408 NPC46580
Remote Similarity 0.6406 NPC476465
Remote Similarity 0.6406 NPC63562
Remote Similarity 0.6406 NPC211572
Remote Similarity 0.6406 NPC212376
Remote Similarity 0.6406 NPC70922
Remote Similarity 0.6406 NPC75540
Remote Similarity 0.6406 NPC80597
Remote Similarity 0.6406 NPC120070
Remote Similarity 0.6404 NPC306397
Remote Similarity 0.6404 NPC471313
Remote Similarity 0.6404 NPC156003
Remote Similarity 0.6404 NPC471311
Remote Similarity 0.6402 NPC470678
Remote Similarity 0.64 NPC469938
Remote Similarity 0.6398 NPC77555
Remote Similarity 0.6394 NPC117244
Remote Similarity 0.6394 NPC473763
Remote Similarity 0.6393 NPC29702
Remote Similarity 0.6392 NPC230869
Remote Similarity 0.639 NPC163421
Remote Similarity 0.639 NPC188387
Remote Similarity 0.6389 NPC317373
Remote Similarity 0.6388 NPC2497
Remote Similarity 0.6387 NPC470233
Remote Similarity 0.6379 NPC74619
Remote Similarity 0.6378 NPC469813
Remote Similarity 0.6378 NPC311276
Remote Similarity 0.6378 NPC476446
Remote Similarity 0.6378 NPC78375
Remote Similarity 0.6376 NPC116622
Remote Similarity 0.6372 NPC200836
Remote Similarity 0.6372 NPC53144
Remote Similarity 0.6372 NPC475774
Remote Similarity 0.6368 NPC168911
Remote Similarity 0.6368 NPC474916
Remote Similarity 0.6364 NPC473342
Remote Similarity 0.6364 NPC477167
Remote Similarity 0.636 NPC472031
Remote Similarity 0.636 NPC472067
Remote Similarity 0.636 NPC472066
Remote Similarity 0.6359 NPC63338
Remote Similarity 0.6359 NPC474707
Remote Similarity 0.6359 NPC322976
Remote Similarity 0.6359 NPC324203
Remote Similarity 0.6354 NPC324611
Remote Similarity 0.6348 NPC21461
Remote Similarity 0.6346 NPC3715
Remote Similarity 0.6344 NPC125597
Remote Similarity 0.6343 NPC327592
Remote Similarity 0.6343 NPC472259
Remote Similarity 0.634 NPC269919
Remote Similarity 0.634 NPC132680
Remote Similarity 0.6339 NPC308906
Remote Similarity 0.6337 NPC63109
Remote Similarity 0.6337 NPC326575
Remote Similarity 0.6335 NPC24678
Remote Similarity 0.6335 NPC105818
Remote Similarity 0.633 NPC471323
Remote Similarity 0.633 NPC71238
Remote Similarity 0.633 NPC477111
Remote Similarity 0.633 NPC314957
Remote Similarity 0.6329 NPC317030
Remote Similarity 0.6329 NPC204565
Remote Similarity 0.6327 NPC470203
Remote Similarity 0.6326 NPC211813
Remote Similarity 0.6324 NPC314394
Remote Similarity 0.6321 NPC267928
Remote Similarity 0.6316 NPC470111
Remote Similarity 0.6313 NPC475288
Remote Similarity 0.6313 NPC477113
Remote Similarity 0.6313 NPC165370
Remote Similarity 0.6313 NPC54988
Remote Similarity 0.6313 NPC41717
Remote Similarity 0.6308 NPC92796
Remote Similarity 0.6308 NPC135141
Remote Similarity 0.6305 NPC248462
Remote Similarity 0.6304 NPC328029
Remote Similarity 0.63 NPC252590
Remote Similarity 0.6298 NPC65215
Remote Similarity 0.6298 NPC173028
Remote Similarity 0.6296 NPC159856
Remote Similarity 0.6296 NPC103388
Remote Similarity 0.6291 NPC102008
Remote Similarity 0.6289 NPC469785
Remote Similarity 0.6288 NPC323244
Remote Similarity 0.6279 NPC469308
Remote Similarity 0.6276 NPC25899
Remote Similarity 0.6276 NPC472068

Drug Structure

External Identifiers

TTD   DAP001271
DrugBank   DB00582
ChEMBL   CHEMBL638
IUPHAR/BPS  
PharmaGKB   PA10233
KEGG Drug   D00578
PubChem CID   71616
ChEBI   10023
CAS Number  137234-62-9

Drug Properties

Molecular Weight  349.12
ALogP  0.8521
MLogP  2.23
XLogP  2.193
HDA  6
HBD  1
Rotatable Bonds  10
TPSA  76.72
RO5 Violation  0