Drug Information

Drug ID:  NPD1240
Drug Name:  Oxybenzone
Molecular Formula:  C14H12O3
Canonical SMILES:  COc1ccc(c(c1)O)C(=O)c1ccccc1
Standard InCHI:  InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3
Standard InCHIKey:  DXGLGDHPHMLXJC-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1240

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 NPC313618
High Similarity 0.9841 NPC64359
High Similarity 0.9841 NPC308037
High Similarity 0.9766 NPC286336
High Similarity 0.9764 NPC87231
High Similarity 0.9764 NPC205468
High Similarity 0.9764 NPC129132
High Similarity 0.9764 NPC257756
High Similarity 0.9764 NPC212631
High Similarity 0.9688 NPC188646
High Similarity 0.9688 NPC242294
High Similarity 0.9688 NPC56031
High Similarity 0.9688 NPC159623
High Similarity 0.9688 NPC472365
High Similarity 0.9688 NPC144051
High Similarity 0.9688 NPC294593
High Similarity 0.9688 NPC28753
High Similarity 0.9688 NPC18877
High Similarity 0.9688 NPC139813
High Similarity 0.9688 NPC192304
High Similarity 0.9688 NPC312318
High Similarity 0.9688 NPC204960
High Similarity 0.9688 NPC263670
High Similarity 0.9688 NPC337373
High Similarity 0.9688 NPC82225
High Similarity 0.9688 NPC20560
High Similarity 0.9688 NPC175098
High Similarity 0.9685 NPC262359
High Similarity 0.968 NPC186098
High Similarity 0.968 NPC80694
High Similarity 0.9615 NPC1486
High Similarity 0.9615 NPC41461
High Similarity 0.9615 NPC25287
High Similarity 0.9615 NPC477244
High Similarity 0.9615 NPC477242
High Similarity 0.9615 NPC168105
High Similarity 0.9615 NPC150399
High Similarity 0.9615 NPC249606
High Similarity 0.9615 NPC12165
High Similarity 0.9615 NPC477243
High Similarity 0.9615 NPC274109
High Similarity 0.9615 NPC66349
High Similarity 0.9615 NPC98115
High Similarity 0.9615 NPC186838
High Similarity 0.9542 NPC472419
High Similarity 0.9542 NPC116632
High Similarity 0.9542 NPC303644
High Similarity 0.9542 NPC317119
High Similarity 0.9542 NPC162680
High Similarity 0.9542 NPC7013
High Similarity 0.9542 NPC153979
High Similarity 0.9542 NPC209560
High Similarity 0.9542 NPC181124
High Similarity 0.9542 NPC294409
High Similarity 0.9538 NPC39426
High Similarity 0.9538 NPC156092
High Similarity 0.9538 NPC131039
High Similarity 0.9538 NPC13575
High Similarity 0.9538 NPC234560
High Similarity 0.9531 NPC112192
High Similarity 0.9531 NPC66384
High Similarity 0.9531 NPC186097
High Similarity 0.9531 NPC475008
High Similarity 0.9531 NPC189106
High Similarity 0.9531 NPC164236
High Similarity 0.9531 NPC309717
High Similarity 0.9531 NPC128348
High Similarity 0.9531 NPC475009
High Similarity 0.9528 NPC247779
High Similarity 0.947 NPC279668
High Similarity 0.947 NPC278323
High Similarity 0.947 NPC309154
High Similarity 0.947 NPC21350
High Similarity 0.947 NPC90665
High Similarity 0.947 NPC55162
High Similarity 0.947 NPC124269
High Similarity 0.947 NPC12175
High Similarity 0.947 NPC472368
High Similarity 0.9466 NPC240593
High Similarity 0.9466 NPC476333
High Similarity 0.9466 NPC213603
High Similarity 0.9466 NPC87545
High Similarity 0.9466 NPC235428
High Similarity 0.9466 NPC473391
High Similarity 0.9466 NPC472367
High Similarity 0.9466 NPC472364
High Similarity 0.9462 NPC103842
High Similarity 0.9449 NPC69235
High Similarity 0.9449 NPC212379
High Similarity 0.9449 NPC60558
High Similarity 0.9444 NPC305518
High Similarity 0.9444 NPC128428
High Similarity 0.9398 NPC470211
High Similarity 0.9398 NPC472366
High Similarity 0.9398 NPC295384
High Similarity 0.9398 NPC477956
High Similarity 0.9394 NPC228661
High Similarity 0.9394 NPC250266
High Similarity 0.9394 NPC476480
High Similarity 0.9394 NPC212767
High Similarity 0.9394 NPC84585
High Similarity 0.9394 NPC266597
High Similarity 0.9394 NPC188879
High Similarity 0.9389 NPC9985
High Similarity 0.9389 NPC239495
High Similarity 0.9385 NPC27643
High Similarity 0.9385 NPC57601
High Similarity 0.9375 NPC185497
High Similarity 0.9328 NPC204985
High Similarity 0.9328 NPC101366
High Similarity 0.9328 NPC11056
High Similarity 0.9328 NPC213659
High Similarity 0.9328 NPC215311
High Similarity 0.9328 NPC259166
High Similarity 0.9328 NPC48624
High Similarity 0.9328 NPC172250
High Similarity 0.9328 NPC144118
High Similarity 0.9328 NPC326109
High Similarity 0.9328 NPC219917
High Similarity 0.9328 NPC80962
High Similarity 0.9323 NPC147686
High Similarity 0.9323 NPC280284
High Similarity 0.9323 NPC99333
High Similarity 0.9323 NPC472460
High Similarity 0.9323 NPC243528
High Similarity 0.9323 NPC471620
High Similarity 0.9323 NPC188947
High Similarity 0.9323 NPC329225
High Similarity 0.9323 NPC251681
High Similarity 0.9318 NPC473887
High Similarity 0.9318 NPC194281
High Similarity 0.9318 NPC127447
High Similarity 0.9318 NPC193792
High Similarity 0.9318 NPC231772
High Similarity 0.9318 NPC234133
High Similarity 0.9318 NPC29353
High Similarity 0.9318 NPC124784
High Similarity 0.9318 NPC47815
High Similarity 0.9313 NPC172262
High Similarity 0.9313 NPC164136
High Similarity 0.9297 NPC211120
High Similarity 0.9297 NPC78662
High Similarity 0.9297 NPC230818
High Similarity 0.9297 NPC8005
High Similarity 0.9259 NPC49108
High Similarity 0.9259 NPC268204
High Similarity 0.9259 NPC470087
High Similarity 0.9259 NPC3188
High Similarity 0.9259 NPC470089
High Similarity 0.9259 NPC55832
High Similarity 0.9259 NPC110969
High Similarity 0.9259 NPC469404
High Similarity 0.9259 NPC26051
High Similarity 0.9259 NPC321980
High Similarity 0.9259 NPC52789
High Similarity 0.9254 NPC20709
High Similarity 0.9254 NPC283429
High Similarity 0.9254 NPC261234
High Similarity 0.9254 NPC109232
High Similarity 0.9254 NPC329203
High Similarity 0.9254 NPC310135
High Similarity 0.9254 NPC150648
High Similarity 0.9254 NPC265871
High Similarity 0.9254 NPC18260
High Similarity 0.9254 NPC225153
High Similarity 0.9254 NPC274784
High Similarity 0.9254 NPC78913
High Similarity 0.9254 NPC222342
High Similarity 0.9248 NPC243083
High Similarity 0.9248 NPC79943
High Similarity 0.9248 NPC107586
High Similarity 0.9248 NPC287246
High Similarity 0.9248 NPC290291
High Similarity 0.9248 NPC12296
High Similarity 0.9248 NPC295261
High Similarity 0.9248 NPC275055
High Similarity 0.9248 NPC13768
High Similarity 0.9248 NPC32441
High Similarity 0.9248 NPC296490
High Similarity 0.9242 NPC151113
High Similarity 0.9237 NPC50898
High Similarity 0.9237 NPC78540
High Similarity 0.9237 NPC213216
High Similarity 0.9237 NPC274121
High Similarity 0.9231 NPC475589
High Similarity 0.9231 NPC31872
High Similarity 0.9231 NPC473584
High Similarity 0.9225 NPC84772
High Similarity 0.9225 NPC42292
High Similarity 0.9225 NPC307732
High Similarity 0.9191 NPC287722
High Similarity 0.9191 NPC202981
High Similarity 0.9191 NPC226636
High Similarity 0.9191 NPC11561
High Similarity 0.9191 NPC53192
High Similarity 0.9185 NPC6407
High Similarity 0.9185 NPC253822
High Similarity 0.9185 NPC129853
High Similarity 0.9185 NPC305355
High Similarity 0.9185 NPC110228

Drug Structure

External Identifiers

TTD  
DrugBank   DB01428
ChEMBL   CHEMBL1625
IUPHAR/BPS  
PharmaGKB   PA164742933
KEGG Drug   D05309
PubChem CID  
ChEBI   34283
CAS Number  131-57-7

Drug Properties

Molecular Weight  228.08
ALogP  -0.7759
MLogP  2.67
XLogP  4.066
HDA  1
HBD  1
Rotatable Bonds  5
TPSA  46.53
RO5 Violation  0