Drug Information

Drug ID:  NPD9295
Drug Name:  Mequinol
Molecular Formula:  C7H8O2
Canonical SMILES:  COc1ccc(cc1)O
Standard InCHI:  InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
Standard InCHIKey:  NWVVVBRKAWDGAB-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9295

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 NPC157213
High Similarity 0.9286 NPC23837
High Similarity 0.8916 NPC124576
High Similarity 0.8817 NPC307039
High Similarity 0.8791 NPC16649
High Similarity 0.8791 NPC114325
High Similarity 0.8675 NPC65517
Intermediate Similarity 0.8384 NPC233320
Intermediate Similarity 0.8384 NPC124712
Intermediate Similarity 0.8333 NPC206876
Intermediate Similarity 0.8283 NPC232654
Intermediate Similarity 0.8261 NPC318429
Intermediate Similarity 0.8229 NPC314803
Intermediate Similarity 0.8193 NPC100980
Intermediate Similarity 0.8152 NPC302546
Intermediate Similarity 0.8119 NPC241549
Intermediate Similarity 0.8081 NPC474603
Intermediate Similarity 0.8081 NPC12987
Intermediate Similarity 0.8058 NPC275627
Intermediate Similarity 0.8043 NPC47422
Intermediate Similarity 0.8041 NPC100870
Intermediate Similarity 0.8 NPC307875
Intermediate Similarity 0.8 NPC17537
Intermediate Similarity 0.8 NPC125306
Intermediate Similarity 0.798 NPC305205
Intermediate Similarity 0.7957 NPC259134
Intermediate Similarity 0.7957 NPC177844
Intermediate Similarity 0.7957 NPC8002
Intermediate Similarity 0.7957 NPC99886
Intermediate Similarity 0.7921 NPC113457
Intermediate Similarity 0.7921 NPC473653
Intermediate Similarity 0.79 NPC130817
Intermediate Similarity 0.7885 NPC266932
Intermediate Similarity 0.7879 NPC51633
Intermediate Similarity 0.7872 NPC71853
Intermediate Similarity 0.781 NPC474920
Intermediate Similarity 0.781 NPC98372
Intermediate Similarity 0.78 NPC192596
Intermediate Similarity 0.7789 NPC321956
Intermediate Similarity 0.7788 NPC247871
Intermediate Similarity 0.7767 NPC201959
Intermediate Similarity 0.7767 NPC75440
Intermediate Similarity 0.7753 NPC204932
Intermediate Similarity 0.7745 NPC164576
Intermediate Similarity 0.7723 NPC108875
Intermediate Similarity 0.7723 NPC2518
Intermediate Similarity 0.7723 NPC38079
Intermediate Similarity 0.7708 NPC29373
Intermediate Similarity 0.7692 NPC233731
Intermediate Similarity 0.7692 NPC7097
Intermediate Similarity 0.7692 NPC246358
Intermediate Similarity 0.7692 NPC36108
Intermediate Similarity 0.7685 NPC154256
Intermediate Similarity 0.7685 NPC290470
Intermediate Similarity 0.7677 NPC132725
Intermediate Similarity 0.767 NPC251306
Intermediate Similarity 0.7667 NPC270094
Intermediate Similarity 0.7664 NPC142319
Intermediate Similarity 0.7647 NPC227255
Intermediate Similarity 0.7647 NPC8302
Intermediate Similarity 0.7647 NPC470393
Intermediate Similarity 0.7647 NPC288760
Intermediate Similarity 0.7629 NPC471581
Intermediate Similarity 0.7619 NPC94045
Intermediate Similarity 0.7609 NPC124436
Intermediate Similarity 0.7593 NPC301321
Intermediate Similarity 0.7593 NPC473718
Intermediate Similarity 0.7576 NPC175298
Intermediate Similarity 0.7556 NPC4154
Intermediate Similarity 0.7547 NPC78918
Intermediate Similarity 0.7547 NPC90520
Intermediate Similarity 0.7547 NPC139617
Intermediate Similarity 0.7547 NPC156840
Intermediate Similarity 0.7547 NPC257124
Intermediate Similarity 0.7547 NPC173746
Intermediate Similarity 0.7547 NPC296920
Intermediate Similarity 0.7547 NPC195873
Intermediate Similarity 0.7547 NPC8547
Intermediate Similarity 0.7527 NPC150837
Intermediate Similarity 0.7527 NPC286904
Intermediate Similarity 0.7527 NPC248817
Intermediate Similarity 0.75 NPC312304
Intermediate Similarity 0.75 NPC194034
Intermediate Similarity 0.75 NPC227894
Intermediate Similarity 0.75 NPC470837
Intermediate Similarity 0.75 NPC288923
Intermediate Similarity 0.75 NPC171843
Intermediate Similarity 0.7477 NPC280606
Intermediate Similarity 0.7474 NPC104216
Intermediate Similarity 0.7453 NPC168657
Intermediate Similarity 0.7453 NPC46844
Intermediate Similarity 0.7447 NPC197783
Intermediate Similarity 0.7429 NPC169450
Intermediate Similarity 0.7426 NPC253746
Intermediate Similarity 0.7426 NPC13755
Intermediate Similarity 0.7419 NPC265146
Intermediate Similarity 0.7407 NPC141003
Intermediate Similarity 0.7407 NPC35344
Intermediate Similarity 0.7404 NPC41594
Intermediate Similarity 0.7404 NPC30416
Intermediate Similarity 0.74 NPC470161
Intermediate Similarity 0.74 NPC313918
Intermediate Similarity 0.74 NPC475078
Intermediate Similarity 0.74 NPC88420
Intermediate Similarity 0.74 NPC152097
Intermediate Similarity 0.7387 NPC283616
Intermediate Similarity 0.7368 NPC307235
Intermediate Similarity 0.7368 NPC407
Intermediate Similarity 0.7368 NPC23167
Intermediate Similarity 0.7368 NPC184169
Intermediate Similarity 0.7364 NPC69539
Intermediate Similarity 0.7358 NPC474272
Intermediate Similarity 0.7358 NPC234639
Intermediate Similarity 0.7353 NPC94343
Intermediate Similarity 0.7353 NPC12714
Intermediate Similarity 0.7353 NPC300166
Intermediate Similarity 0.7353 NPC84325
Intermediate Similarity 0.7353 NPC310905
Intermediate Similarity 0.7347 NPC325292
Intermediate Similarity 0.7347 NPC138117
Intermediate Similarity 0.7345 NPC129176
Intermediate Similarity 0.7345 NPC473875
Intermediate Similarity 0.7345 NPC100108
Intermediate Similarity 0.7345 NPC277798
Intermediate Similarity 0.7345 NPC475529
Intermediate Similarity 0.734 NPC175313
Intermediate Similarity 0.7339 NPC180508
Intermediate Similarity 0.7339 NPC276737
Intermediate Similarity 0.7339 NPC22610
Intermediate Similarity 0.7339 NPC228287
Intermediate Similarity 0.7327 NPC260775
Intermediate Similarity 0.7327 NPC471576
Intermediate Similarity 0.7326 NPC215445
Intermediate Similarity 0.7321 NPC51341
Intermediate Similarity 0.7321 NPC471449
Intermediate Similarity 0.7321 NPC32152
Intermediate Similarity 0.732 NPC47950
Intermediate Similarity 0.732 NPC300017
Intermediate Similarity 0.732 NPC300478
Intermediate Similarity 0.7308 NPC127676
Intermediate Similarity 0.7297 NPC187993
Intermediate Similarity 0.7297 NPC238176
Intermediate Similarity 0.7292 NPC25493
Intermediate Similarity 0.7292 NPC27974
Intermediate Similarity 0.7292 NPC113460
Intermediate Similarity 0.729 NPC95977
Intermediate Similarity 0.729 NPC137685
Intermediate Similarity 0.7282 NPC179686
Intermediate Similarity 0.7282 NPC304638
Intermediate Similarity 0.7282 NPC298224
Intermediate Similarity 0.7281 NPC476165
Intermediate Similarity 0.7281 NPC285289
Intermediate Similarity 0.7273 NPC167934
Intermediate Similarity 0.7273 NPC464
Intermediate Similarity 0.7273 NPC185541
Intermediate Similarity 0.7273 NPC808
Intermediate Similarity 0.7273 NPC53906
Intermediate Similarity 0.7273 NPC296526
Intermediate Similarity 0.7264 NPC146530
Intermediate Similarity 0.7263 NPC155393
Intermediate Similarity 0.7257 NPC14177
Intermediate Similarity 0.7257 NPC474131
Intermediate Similarity 0.7257 NPC232295
Intermediate Similarity 0.7255 NPC129373
Intermediate Similarity 0.7255 NPC12931
Intermediate Similarity 0.7255 NPC130756
Intermediate Similarity 0.7255 NPC130103
Intermediate Similarity 0.7255 NPC70677
Intermediate Similarity 0.7255 NPC248396
Intermediate Similarity 0.7255 NPC48730
Intermediate Similarity 0.7255 NPC107101
Intermediate Similarity 0.7245 NPC270547
Intermediate Similarity 0.7234 NPC33756
Intermediate Similarity 0.7234 NPC319826
Intermediate Similarity 0.7234 NPC38459
Intermediate Similarity 0.7228 NPC95755
Intermediate Similarity 0.7228 NPC474073
Intermediate Similarity 0.7222 NPC255068
Intermediate Similarity 0.7222 NPC55300
Intermediate Similarity 0.7222 NPC166837
Intermediate Similarity 0.7222 NPC322285
Intermediate Similarity 0.7217 NPC474864
Intermediate Similarity 0.7216 NPC98772
Intermediate Similarity 0.7216 NPC123273
Intermediate Similarity 0.7216 NPC258219
Intermediate Similarity 0.7216 NPC280347
Intermediate Similarity 0.7216 NPC318325
Intermediate Similarity 0.7216 NPC177420
Intermediate Similarity 0.7216 NPC242240
Intermediate Similarity 0.7212 NPC109637
Intermediate Similarity 0.7212 NPC38209
Intermediate Similarity 0.7212 NPC292792
Intermediate Similarity 0.7212 NPC283546
Intermediate Similarity 0.7207 NPC141090
Intermediate Similarity 0.7207 NPC203113
Intermediate Similarity 0.7207 NPC229147
Intermediate Similarity 0.7207 NPC54507
Intermediate Similarity 0.7207 NPC163398
Intermediate Similarity 0.7207 NPC221049
Intermediate Similarity 0.7207 NPC85292

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS   6827
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  124.05
ALogP  -0.5121
MLogP  2.01
XLogP  1.389
HDA  0
HBD  1
Rotatable Bonds  3
TPSA  29.46
RO5 Violation  0