Drug Information

Drug ID:  NPD1920
Drug Name:  Methaqualone
Molecular Formula:  C16H14N2O
Canonical SMILES:  Cc1nc2ccccc2c(=O)n1c1ccccc1C
Standard InCHI:  InChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3
Standard InCHIKey:  JEYCTXHKTXCGPB-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1920

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 0.9606 NPC300299
High Similarity 0.9535 NPC83214
High Similarity 0.9023 NPC207554
High Similarity 0.8815 NPC2823
High Similarity 0.8779 NPC207428
Intermediate Similarity 0.8438 NPC257490
Intermediate Similarity 0.8403 NPC295021
Intermediate Similarity 0.82 NPC471130
Intermediate Similarity 0.8188 NPC88970
Intermediate Similarity 0.814 NPC291962
Intermediate Similarity 0.814 NPC177684
Intermediate Similarity 0.8082 NPC117032
Intermediate Similarity 0.8077 NPC161956
Intermediate Similarity 0.8077 NPC258531
Intermediate Similarity 0.8077 NPC112373
Intermediate Similarity 0.7986 NPC324445
Intermediate Similarity 0.7939 NPC179605
Intermediate Similarity 0.7939 NPC279385
Intermediate Similarity 0.7919 NPC84317
Intermediate Similarity 0.7887 NPC471574
Intermediate Similarity 0.7879 NPC103292
Intermediate Similarity 0.782 NPC39818
Intermediate Similarity 0.7815 NPC154478
Intermediate Similarity 0.7771 NPC475594
Intermediate Similarity 0.7724 NPC136002
Intermediate Similarity 0.7722 NPC475607
Intermediate Similarity 0.7687 NPC268534
Intermediate Similarity 0.7673 NPC474081
Intermediate Similarity 0.7557 NPC288232
Intermediate Similarity 0.7516 NPC474041
Intermediate Similarity 0.7516 NPC475761
Intermediate Similarity 0.7482 NPC209389
Intermediate Similarity 0.7465 NPC162417
Intermediate Similarity 0.7465 NPC316104
Intermediate Similarity 0.7463 NPC226143
Intermediate Similarity 0.7439 NPC21429
Intermediate Similarity 0.7372 NPC254698
Intermediate Similarity 0.7362 NPC88110
Intermediate Similarity 0.731 NPC122553
Intermediate Similarity 0.7305 NPC473815
Intermediate Similarity 0.7279 NPC471164
Intermediate Similarity 0.7278 NPC92803
Intermediate Similarity 0.7262 NPC18890
Intermediate Similarity 0.7256 NPC475685
Intermediate Similarity 0.7215 NPC113056
Intermediate Similarity 0.7215 NPC138293
Intermediate Similarity 0.7209 NPC172170
Intermediate Similarity 0.7194 NPC192533
Intermediate Similarity 0.7154 NPC164802
Intermediate Similarity 0.7151 NPC198401
Intermediate Similarity 0.7143 NPC471943
Intermediate Similarity 0.7143 NPC150308
Intermediate Similarity 0.7143 NPC57051
Intermediate Similarity 0.7113 NPC150863
Intermediate Similarity 0.7099 NPC355
Intermediate Similarity 0.7063 NPC187231
Intermediate Similarity 0.7063 NPC194562
Intermediate Similarity 0.7018 NPC471196
Intermediate Similarity 0.7018 NPC471195
Intermediate Similarity 0.7015 NPC296163
Intermediate Similarity 0.7014 NPC316746
Intermediate Similarity 0.7013 NPC144691
Remote Similarity 0.6989 NPC106118
Remote Similarity 0.6971 NPC471199
Remote Similarity 0.6966 NPC40364
Remote Similarity 0.6948 NPC300596
Remote Similarity 0.6948 NPC237649
Remote Similarity 0.6944 NPC472245
Remote Similarity 0.6944 NPC314431
Remote Similarity 0.6944 NPC280807
Remote Similarity 0.6879 NPC471132
Remote Similarity 0.6875 NPC27904
Remote Similarity 0.687 NPC473498
Remote Similarity 0.6833 NPC295548
Remote Similarity 0.6818 NPC470787
Remote Similarity 0.6818 NPC472540
Remote Similarity 0.6818 NPC472539
Remote Similarity 0.6812 NPC192209
Remote Similarity 0.6807 NPC469529
Remote Similarity 0.68 NPC469560
Remote Similarity 0.6797 NPC75496
Remote Similarity 0.6784 NPC476341
Remote Similarity 0.678 NPC472542
Remote Similarity 0.678 NPC472541
Remote Similarity 0.6776 NPC238499
Remote Similarity 0.6765 NPC314141
Remote Similarity 0.6765 NPC187036
Remote Similarity 0.6761 NPC283130
Remote Similarity 0.6761 NPC328683
Remote Similarity 0.6759 NPC313722
Remote Similarity 0.6758 NPC225400
Remote Similarity 0.6755 NPC130251
Remote Similarity 0.675 NPC477887
Remote Similarity 0.6744 NPC141612
Remote Similarity 0.6744 NPC17273
Remote Similarity 0.6744 NPC135601
Remote Similarity 0.6735 NPC53044
Remote Similarity 0.6732 NPC277157
Remote Similarity 0.6721 NPC471155
Remote Similarity 0.6721 NPC470786
Remote Similarity 0.6721 NPC472538
Remote Similarity 0.6711 NPC301760
Remote Similarity 0.6692 NPC291610
Remote Similarity 0.6691 NPC313449
Remote Similarity 0.6688 NPC470822
Remote Similarity 0.6687 NPC189116
Remote Similarity 0.6686 NPC133003
Remote Similarity 0.6685 NPC270241
Remote Similarity 0.6667 NPC93653
Remote Similarity 0.6667 NPC470343
Remote Similarity 0.6667 NPC471191
Remote Similarity 0.6667 NPC471123
Remote Similarity 0.6667 NPC472244
Remote Similarity 0.6647 NPC177261
Remote Similarity 0.6644 NPC253476
Remote Similarity 0.6627 NPC14849
Remote Similarity 0.6623 NPC308197
Remote Similarity 0.6607 NPC248862
Remote Similarity 0.6607 NPC470548
Remote Similarity 0.6606 NPC114637
Remote Similarity 0.66 NPC173295
Remote Similarity 0.6587 NPC318183
Remote Similarity 0.6561 NPC478186
Remote Similarity 0.656 NPC78154
Remote Similarity 0.6554 NPC231382
Remote Similarity 0.6545 NPC299582
Remote Similarity 0.6543 NPC104345
Remote Similarity 0.6543 NPC153980
Remote Similarity 0.6543 NPC6865
Remote Similarity 0.6541 NPC243850
Remote Similarity 0.6536 NPC315051
Remote Similarity 0.6536 NPC472243
Remote Similarity 0.6516 NPC478040
Remote Similarity 0.6509 NPC328611
Remote Similarity 0.6507 NPC250476
Remote Similarity 0.6507 NPC322433
Remote Similarity 0.6506 NPC182131
Remote Similarity 0.6494 NPC316202
Remote Similarity 0.6491 NPC131450
Remote Similarity 0.6491 NPC147298
Remote Similarity 0.6491 NPC182057
Remote Similarity 0.6489 NPC72956
Remote Similarity 0.6486 NPC226662
Remote Similarity 0.6477 NPC473666
Remote Similarity 0.6474 NPC130797
Remote Similarity 0.6474 NPC314186
Remote Similarity 0.6467 NPC475248
Remote Similarity 0.6467 NPC63047
Remote Similarity 0.6463 NPC476950
Remote Similarity 0.646 NPC281094
Remote Similarity 0.6455 NPC471193
Remote Similarity 0.6455 NPC471194
Remote Similarity 0.645 NPC252572
Remote Similarity 0.6447 NPC325599
Remote Similarity 0.6438 NPC474926
Remote Similarity 0.6424 NPC184437
Remote Similarity 0.6417 NPC285192
Remote Similarity 0.6415 NPC242000
Remote Similarity 0.641 NPC469537
Remote Similarity 0.641 NPC314287
Remote Similarity 0.6408 NPC220698
Remote Similarity 0.6406 NPC244425
Remote Similarity 0.6406 NPC15384
Remote Similarity 0.6406 NPC471197
Remote Similarity 0.6397 NPC302790
Remote Similarity 0.6392 NPC478039
Remote Similarity 0.6387 NPC43477
Remote Similarity 0.6375 NPC473329
Remote Similarity 0.6374 NPC151635
Remote Similarity 0.6374 NPC471743
Remote Similarity 0.6373 NPC471198
Remote Similarity 0.6373 NPC248601
Remote Similarity 0.637 NPC226794
Remote Similarity 0.6364 NPC326792
Remote Similarity 0.6364 NPC16249
Remote Similarity 0.6358 NPC73994
Remote Similarity 0.6354 NPC471192
Remote Similarity 0.6348 NPC324091
Remote Similarity 0.6347 NPC115232
Remote Similarity 0.6346 NPC472241
Remote Similarity 0.6343 NPC285923
Remote Similarity 0.6343 NPC38262
Remote Similarity 0.6335 NPC154602
Remote Similarity 0.6335 NPC243756
Remote Similarity 0.6333 NPC314098
Remote Similarity 0.6327 NPC205946
Remote Similarity 0.6325 NPC242116
Remote Similarity 0.6323 NPC242933
Remote Similarity 0.6309 NPC122235
Remote Similarity 0.6301 NPC475094
Remote Similarity 0.6296 NPC122106
Remote Similarity 0.6296 NPC167336
Remote Similarity 0.6296 NPC285381
Remote Similarity 0.6287 NPC204867
Remote Similarity 0.6286 NPC470205
Remote Similarity 0.6286 NPC243058
Remote Similarity 0.6282 NPC22082
Remote Similarity 0.6282 NPC186284
Remote Similarity 0.6282 NPC470301
Remote Similarity 0.6272 NPC70949

Drug Structure

External Identifiers

TTD   DIB008948
DrugBank   DB04833
ChEMBL   CHEMBL282052
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D00557
PubChem CID  
ChEBI   6821
CAS Number  72-44-6

Drug Properties

Molecular Weight  250.11
ALogP  0.0518
MLogP  2.89
XLogP  4.614
HDA  3
HBD  0
Rotatable Bonds  3
TPSA  32.67
RO5 Violation  0