Drug Information

Drug ID:  NPD9259
Drug Name:  
Molecular Formula:  C7H6O2
Canonical SMILES:  [O-]C(=O)c1ccccc1
Standard InCHI:  InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
Standard InCHIKey:  WPYMKLBDIGXBTP-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9259

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 NPC318107
High Similarity 0.9524 NPC62765
High Similarity 0.9195 NPC261181
High Similarity 0.9091 NPC130398
High Similarity 0.8989 NPC61944
High Similarity 0.8889 NPC249912
High Similarity 0.8889 NPC92754
High Similarity 0.8889 NPC253423
High Similarity 0.8889 NPC276775
High Similarity 0.8791 NPC229242
High Similarity 0.8791 NPC78701
High Similarity 0.8791 NPC225060
High Similarity 0.8791 NPC35448
High Similarity 0.8696 NPC118343
High Similarity 0.8696 NPC203925
High Similarity 0.8696 NPC146351
High Similarity 0.8696 NPC228435
High Similarity 0.8696 NPC325497
High Similarity 0.8696 NPC217621
High Similarity 0.8602 NPC70624
High Similarity 0.8602 NPC282895
High Similarity 0.8602 NPC42211
High Similarity 0.8539 NPC110704
High Similarity 0.8511 NPC25458
High Similarity 0.8511 NPC304873
High Similarity 0.8511 NPC45613
High Similarity 0.8511 NPC284477
High Similarity 0.8511 NPC188895
Intermediate Similarity 0.8421 NPC291426
Intermediate Similarity 0.8421 NPC255676
Intermediate Similarity 0.8421 NPC474365
Intermediate Similarity 0.8421 NPC60679
Intermediate Similarity 0.8421 NPC89886
Intermediate Similarity 0.8421 NPC301943
Intermediate Similarity 0.8333 NPC324786
Intermediate Similarity 0.8333 NPC31786
Intermediate Similarity 0.8333 NPC114594
Intermediate Similarity 0.8256 NPC285773
Intermediate Similarity 0.8256 NPC288903
Intermediate Similarity 0.8247 NPC105899
Intermediate Similarity 0.8247 NPC269457
Intermediate Similarity 0.8247 NPC209632
Intermediate Similarity 0.8163 NPC119271
Intermediate Similarity 0.8163 NPC184658
Intermediate Similarity 0.8163 NPC187913
Intermediate Similarity 0.8163 NPC30594
Intermediate Similarity 0.8163 NPC37622
Intermediate Similarity 0.8111 NPC173443
Intermediate Similarity 0.8081 NPC56493
Intermediate Similarity 0.8081 NPC29883
Intermediate Similarity 0.8081 NPC249811
Intermediate Similarity 0.8068 NPC294134
Intermediate Similarity 0.8 NPC265407
Intermediate Similarity 0.8 NPC269023
Intermediate Similarity 0.8 NPC318327
Intermediate Similarity 0.8 NPC469636
Intermediate Similarity 0.8 NPC10251
Intermediate Similarity 0.8 NPC474364
Intermediate Similarity 0.8 NPC100551
Intermediate Similarity 0.8 NPC85493
Intermediate Similarity 0.8 NPC83628
Intermediate Similarity 0.8 NPC17417
Intermediate Similarity 0.8 NPC99846
Intermediate Similarity 0.7921 NPC216122
Intermediate Similarity 0.7921 NPC251854
Intermediate Similarity 0.7921 NPC174099
Intermediate Similarity 0.7921 NPC196246
Intermediate Similarity 0.7921 NPC214067
Intermediate Similarity 0.7921 NPC93084
Intermediate Similarity 0.7907 NPC127343
Intermediate Similarity 0.7895 NPC270654
Intermediate Similarity 0.7889 NPC89377
Intermediate Similarity 0.7889 NPC322387
Intermediate Similarity 0.7857 NPC78500
Intermediate Similarity 0.7843 NPC476003
Intermediate Similarity 0.7843 NPC210089
Intermediate Similarity 0.7843 NPC474157
Intermediate Similarity 0.7843 NPC305912
Intermediate Similarity 0.7843 NPC260818
Intermediate Similarity 0.7843 NPC243355
Intermediate Similarity 0.7843 NPC1082
Intermediate Similarity 0.7843 NPC167504
Intermediate Similarity 0.7835 NPC473325
Intermediate Similarity 0.7812 NPC160548
Intermediate Similarity 0.7812 NPC175852
Intermediate Similarity 0.7812 NPC210529
Intermediate Similarity 0.7802 NPC329064
Intermediate Similarity 0.7791 NPC300205
Intermediate Similarity 0.7778 NPC249067
Intermediate Similarity 0.7767 NPC158282
Intermediate Similarity 0.7767 NPC82899
Intermediate Similarity 0.7767 NPC66208
Intermediate Similarity 0.7767 NPC474314
Intermediate Similarity 0.7767 NPC321852
Intermediate Similarity 0.7767 NPC79496
Intermediate Similarity 0.7767 NPC270699
Intermediate Similarity 0.7765 NPC245966
Intermediate Similarity 0.7742 NPC119631
Intermediate Similarity 0.7717 NPC9822
Intermediate Similarity 0.7717 NPC220893
Intermediate Similarity 0.7701 NPC164086
Intermediate Similarity 0.7692 NPC161611
Intermediate Similarity 0.7692 NPC474176
Intermediate Similarity 0.7692 NPC272524
Intermediate Similarity 0.7692 NPC128368
Intermediate Similarity 0.7677 NPC329556
Intermediate Similarity 0.7674 NPC2785
Intermediate Similarity 0.7674 NPC36342
Intermediate Similarity 0.7674 NPC285470
Intermediate Similarity 0.7667 NPC58616
Intermediate Similarity 0.7667 NPC95965
Intermediate Similarity 0.7653 NPC52472
Intermediate Similarity 0.764 NPC44830
Intermediate Similarity 0.7634 NPC86670
Intermediate Similarity 0.7634 NPC274455
Intermediate Similarity 0.7634 NPC70940
Intermediate Similarity 0.7619 NPC237366
Intermediate Similarity 0.7619 NPC307651
Intermediate Similarity 0.7619 NPC153053
Intermediate Similarity 0.7619 NPC474363
Intermediate Similarity 0.7619 NPC211421
Intermediate Similarity 0.7619 NPC308744
Intermediate Similarity 0.7614 NPC73978
Intermediate Similarity 0.7556 NPC44546
Intermediate Similarity 0.7551 NPC245561
Intermediate Similarity 0.7549 NPC34715
Intermediate Similarity 0.7549 NPC226699
Intermediate Similarity 0.7549 NPC141523
Intermediate Similarity 0.7549 NPC211439
Intermediate Similarity 0.7549 NPC303264
Intermediate Similarity 0.7547 NPC81808
Intermediate Similarity 0.7547 NPC186933
Intermediate Similarity 0.7547 NPC210092
Intermediate Similarity 0.7547 NPC474685
Intermediate Similarity 0.7547 NPC306740
Intermediate Similarity 0.7529 NPC206800
Intermediate Similarity 0.7529 NPC32203
Intermediate Similarity 0.7528 NPC323103
Intermediate Similarity 0.7526 NPC156021
Intermediate Similarity 0.7525 NPC163734
Intermediate Similarity 0.7525 NPC219913
Intermediate Similarity 0.75 NPC121800
Intermediate Similarity 0.75 NPC71664
Intermediate Similarity 0.75 NPC160382
Intermediate Similarity 0.75 NPC13426
Intermediate Similarity 0.75 NPC190567
Intermediate Similarity 0.7477 NPC220540
Intermediate Similarity 0.7477 NPC188907
Intermediate Similarity 0.7477 NPC100353
Intermediate Similarity 0.7477 NPC149691
Intermediate Similarity 0.7476 NPC224584
Intermediate Similarity 0.7453 NPC98543
Intermediate Similarity 0.7453 NPC223004
Intermediate Similarity 0.7451 NPC6984
Intermediate Similarity 0.7447 NPC213156
Intermediate Similarity 0.7447 NPC240108
Intermediate Similarity 0.7444 NPC270507
Intermediate Similarity 0.7444 NPC215008
Intermediate Similarity 0.7444 NPC273758
Intermediate Similarity 0.7426 NPC269644
Intermediate Similarity 0.7423 NPC246679
Intermediate Similarity 0.7419 NPC304760
Intermediate Similarity 0.7416 NPC100039
Intermediate Similarity 0.7416 NPC12936
Intermediate Similarity 0.7416 NPC273033
Intermediate Similarity 0.7416 NPC145053
Intermediate Similarity 0.7407 NPC131192
Intermediate Similarity 0.7407 NPC312800
Intermediate Similarity 0.7407 NPC128825
Intermediate Similarity 0.7407 NPC158157
Intermediate Similarity 0.7404 NPC95172
Intermediate Similarity 0.74 NPC320891
Intermediate Similarity 0.7386 NPC170484
Intermediate Similarity 0.7383 NPC476357
Intermediate Similarity 0.7368 NPC317645
Intermediate Similarity 0.7356 NPC3672
Intermediate Similarity 0.7356 NPC287790
Intermediate Similarity 0.7353 NPC13495
Intermediate Similarity 0.7347 NPC289201
Intermediate Similarity 0.7339 NPC45104
Intermediate Similarity 0.7339 NPC469574
Intermediate Similarity 0.7339 NPC160199
Intermediate Similarity 0.7339 NPC240664
Intermediate Similarity 0.7339 NPC217423
Intermediate Similarity 0.7339 NPC228318
Intermediate Similarity 0.7333 NPC103387
Intermediate Similarity 0.7333 NPC474057
Intermediate Similarity 0.732 NPC32977
Intermediate Similarity 0.732 NPC81010
Intermediate Similarity 0.732 NPC172925
Intermediate Similarity 0.7312 NPC194326
Intermediate Similarity 0.7308 NPC17525
Intermediate Similarity 0.73 NPC112552
Intermediate Similarity 0.7292 NPC77273
Intermediate Similarity 0.7282 NPC1065
Intermediate Similarity 0.7282 NPC317592
Intermediate Similarity 0.7273 NPC273282
Intermediate Similarity 0.7273 NPC50192
Intermediate Similarity 0.7273 NPC176228
Intermediate Similarity 0.7273 NPC94637

Drug Structure

External Identifiers

TTD   DNC003414
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   242
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  121.03
ALogP  -0.9176
MLogP  2.01
XLogP  2.185
HDA  2
HBD  0
Rotatable Bonds  2
TPSA  40.13
RO5 Violation  0