Drug Information

Drug ID:  NPD1607
Drug Name:  Mexenone
Molecular Formula:  C15H14O3
Canonical SMILES:  COc1ccc(c(c1)O)C(=O)c1ccc(cc1)C
Standard InCHI:  InChI=1S/C15H14O3/c1-10-3-5-11(6-4-10)15(17)13-8-7-12(18-2)9-14(13)16/h3-9,16H,1-2H3
Standard InCHIKey:  MJVGBKJNTFCUJM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1607

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 0.9843 NPC313618
High Similarity 0.9688 NPC308037
High Similarity 0.9688 NPC64359
High Similarity 0.9615 NPC286336
High Similarity 0.9612 NPC87231
High Similarity 0.9612 NPC212631
High Similarity 0.9612 NPC129132
High Similarity 0.9612 NPC257756
High Similarity 0.9612 NPC205468
High Similarity 0.9538 NPC175098
High Similarity 0.9538 NPC472365
High Similarity 0.9538 NPC263670
High Similarity 0.9538 NPC56031
High Similarity 0.9538 NPC192304
High Similarity 0.9538 NPC242294
High Similarity 0.9538 NPC144051
High Similarity 0.9538 NPC28753
High Similarity 0.9538 NPC294593
High Similarity 0.9538 NPC312318
High Similarity 0.9538 NPC159623
High Similarity 0.9538 NPC337373
High Similarity 0.9538 NPC82225
High Similarity 0.9538 NPC18877
High Similarity 0.9538 NPC188646
High Similarity 0.9538 NPC20560
High Similarity 0.9538 NPC204960
High Similarity 0.9538 NPC139813
High Similarity 0.9535 NPC262359
High Similarity 0.9528 NPC186098
High Similarity 0.9528 NPC80694
High Similarity 0.947 NPC66349
High Similarity 0.947 NPC249606
High Similarity 0.947 NPC477243
High Similarity 0.947 NPC25287
High Similarity 0.947 NPC186838
High Similarity 0.947 NPC12165
High Similarity 0.947 NPC168105
High Similarity 0.947 NPC150399
High Similarity 0.947 NPC98115
High Similarity 0.947 NPC477244
High Similarity 0.947 NPC1486
High Similarity 0.947 NPC477242
High Similarity 0.947 NPC41461
High Similarity 0.947 NPC274109
High Similarity 0.9403 NPC109232
High Similarity 0.9398 NPC303644
High Similarity 0.9398 NPC7013
High Similarity 0.9398 NPC472419
High Similarity 0.9398 NPC116632
High Similarity 0.9398 NPC317119
High Similarity 0.9398 NPC153979
High Similarity 0.9398 NPC181124
High Similarity 0.9398 NPC162680
High Similarity 0.9398 NPC209560
High Similarity 0.9398 NPC294409
High Similarity 0.9394 NPC13575
High Similarity 0.9394 NPC39426
High Similarity 0.9394 NPC156092
High Similarity 0.9394 NPC234560
High Similarity 0.9394 NPC131039
High Similarity 0.9385 NPC112192
High Similarity 0.9385 NPC475009
High Similarity 0.9385 NPC66384
High Similarity 0.9385 NPC164236
High Similarity 0.9385 NPC186097
High Similarity 0.9385 NPC475008
High Similarity 0.9385 NPC128348
High Similarity 0.9385 NPC189106
High Similarity 0.9385 NPC309717
High Similarity 0.938 NPC247779
High Similarity 0.9328 NPC124269
High Similarity 0.9328 NPC278323
High Similarity 0.9328 NPC12175
High Similarity 0.9328 NPC55162
High Similarity 0.9328 NPC309154
High Similarity 0.9328 NPC21350
High Similarity 0.9328 NPC472368
High Similarity 0.9328 NPC90665
High Similarity 0.9328 NPC279668
High Similarity 0.9323 NPC472364
High Similarity 0.9323 NPC476333
High Similarity 0.9323 NPC472367
High Similarity 0.9323 NPC240593
High Similarity 0.9323 NPC473391
High Similarity 0.9323 NPC213603
High Similarity 0.9323 NPC87545
High Similarity 0.9323 NPC235428
High Similarity 0.9318 NPC103842
High Similarity 0.9302 NPC212379
High Similarity 0.9302 NPC69235
High Similarity 0.9302 NPC60558
High Similarity 0.9297 NPC128428
High Similarity 0.9297 NPC305518
High Similarity 0.9259 NPC477956
High Similarity 0.9259 NPC472366
High Similarity 0.9259 NPC295384
High Similarity 0.9259 NPC470211
High Similarity 0.9254 NPC188879
High Similarity 0.9254 NPC228661
High Similarity 0.9254 NPC250266
High Similarity 0.9254 NPC212767
High Similarity 0.9254 NPC84585
High Similarity 0.9254 NPC476480
High Similarity 0.9254 NPC266597
High Similarity 0.9248 NPC9985
High Similarity 0.9248 NPC239495
High Similarity 0.9242 NPC57601
High Similarity 0.9242 NPC27643
High Similarity 0.9231 NPC185497
High Similarity 0.9191 NPC144118
High Similarity 0.9191 NPC80962
High Similarity 0.9191 NPC326109
High Similarity 0.9191 NPC48624
High Similarity 0.9191 NPC259166
High Similarity 0.9191 NPC101366
High Similarity 0.9191 NPC11056
High Similarity 0.9191 NPC204985
High Similarity 0.9191 NPC213659
High Similarity 0.9191 NPC172250
High Similarity 0.9191 NPC215311
High Similarity 0.9191 NPC219917
High Similarity 0.9191 NPC265178
High Similarity 0.9185 NPC243528
High Similarity 0.9185 NPC280284
High Similarity 0.9185 NPC251681
High Similarity 0.9185 NPC99333
High Similarity 0.9185 NPC471620
High Similarity 0.9185 NPC472460
High Similarity 0.9185 NPC188947
High Similarity 0.9185 NPC329225
High Similarity 0.9185 NPC147686
High Similarity 0.9179 NPC29353
High Similarity 0.9179 NPC193792
High Similarity 0.9179 NPC124784
High Similarity 0.9179 NPC127447
High Similarity 0.9179 NPC473887
High Similarity 0.9179 NPC47815
High Similarity 0.9179 NPC234133
High Similarity 0.9179 NPC194281
High Similarity 0.9179 NPC231772
High Similarity 0.9173 NPC164136
High Similarity 0.9173 NPC172262
High Similarity 0.9154 NPC211120
High Similarity 0.9154 NPC78662
High Similarity 0.9154 NPC230818
High Similarity 0.9154 NPC8005
High Similarity 0.9137 NPC99454
High Similarity 0.9137 NPC196114
High Similarity 0.9137 NPC130176
High Similarity 0.9124 NPC3188
High Similarity 0.9124 NPC232021
High Similarity 0.9124 NPC470089
High Similarity 0.9124 NPC126534
High Similarity 0.9124 NPC26051
High Similarity 0.9124 NPC268204
High Similarity 0.9124 NPC94076
High Similarity 0.9124 NPC469404
High Similarity 0.9124 NPC182255
High Similarity 0.9124 NPC110969
High Similarity 0.9124 NPC55832
High Similarity 0.9124 NPC470087
High Similarity 0.9124 NPC40118
High Similarity 0.9124 NPC49108
High Similarity 0.9124 NPC321980
High Similarity 0.9124 NPC52789
High Similarity 0.9118 NPC18260
High Similarity 0.9118 NPC78913
High Similarity 0.9118 NPC329203
High Similarity 0.9118 NPC150648
High Similarity 0.9118 NPC225153
High Similarity 0.9118 NPC274784
High Similarity 0.9118 NPC310135
High Similarity 0.9118 NPC222342
High Similarity 0.9118 NPC20709
High Similarity 0.9118 NPC265871
High Similarity 0.9118 NPC261234
High Similarity 0.9118 NPC283429
High Similarity 0.9111 NPC275055
High Similarity 0.9111 NPC12296
High Similarity 0.9111 NPC79943
High Similarity 0.9111 NPC290291
High Similarity 0.9111 NPC295261
High Similarity 0.9111 NPC296490
High Similarity 0.9111 NPC32441
High Similarity 0.9111 NPC107586
High Similarity 0.9111 NPC243083
High Similarity 0.9111 NPC13768
High Similarity 0.9111 NPC287246
High Similarity 0.9104 NPC151113
High Similarity 0.9098 NPC213216
High Similarity 0.9098 NPC274121
High Similarity 0.9098 NPC78540
High Similarity 0.9098 NPC50898
High Similarity 0.9091 NPC475589
High Similarity 0.9091 NPC473584
High Similarity 0.9091 NPC31872
High Similarity 0.9084 NPC84772
High Similarity 0.9084 NPC42292
High Similarity 0.9084 NPC307732
High Similarity 0.9058 NPC202981

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  242.09
ALogP  -0.1339
MLogP  2.78
XLogP  4.389
HDA  1
HBD  1
Rotatable Bonds  6
TPSA  46.53
RO5 Violation  0