Drug Information

Drug ID:  NPD1550
Drug Name:  
Molecular Formula:  C15H12O4
Canonical SMILES:  Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccccc1
Standard InCHI:  InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1
Standard InCHIKey:  URFCJEUYXNAHFI-ZDUSSCGKSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1550

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 NPC13768
High Similarity 1.0 NPC107586
High Similarity 1.0 NPC32441
High Similarity 1.0 NPC287246
High Similarity 1.0 NPC12296
High Similarity 1.0 NPC295261
High Similarity 1.0 NPC296490
High Similarity 1.0 NPC243083
High Similarity 1.0 NPC79943
High Similarity 0.9924 NPC147686
High Similarity 0.9924 NPC472460
High Similarity 0.9924 NPC329225
High Similarity 0.985 NPC310135
High Similarity 0.985 NPC329203
High Similarity 0.985 NPC265871
High Similarity 0.985 NPC225153
High Similarity 0.985 NPC274784
High Similarity 0.985 NPC20709
High Similarity 0.985 NPC150648
High Similarity 0.985 NPC222342
High Similarity 0.9848 NPC476480
High Similarity 0.9848 NPC84585
High Similarity 0.9776 NPC6407
High Similarity 0.9776 NPC110228
High Similarity 0.9776 NPC188243
High Similarity 0.9774 NPC118813
High Similarity 0.9704 NPC213322
High Similarity 0.9704 NPC4743
High Similarity 0.9704 NPC312391
High Similarity 0.9704 NPC324386
High Similarity 0.9701 NPC316480
High Similarity 0.9701 NPC261234
High Similarity 0.9701 NPC140890
High Similarity 0.9699 NPC290291
High Similarity 0.9699 NPC275055
High Similarity 0.9697 NPC239495
High Similarity 0.9697 NPC9985
High Similarity 0.9632 NPC182852
High Similarity 0.9632 NPC32739
High Similarity 0.9632 NPC296917
High Similarity 0.9632 NPC76372
High Similarity 0.9632 NPC66515
High Similarity 0.9632 NPC78
High Similarity 0.9632 NPC166482
High Similarity 0.9632 NPC148757
High Similarity 0.9632 NPC107572
High Similarity 0.9632 NPC324134
High Similarity 0.9632 NPC37496
High Similarity 0.9632 NPC166934
High Similarity 0.9632 NPC306829
High Similarity 0.9632 NPC194432
High Similarity 0.9632 NPC10937
High Similarity 0.9632 NPC220998
High Similarity 0.9632 NPC324436
High Similarity 0.9632 NPC76338
High Similarity 0.9632 NPC125855
High Similarity 0.9632 NPC167624
High Similarity 0.9632 NPC227579
High Similarity 0.9632 NPC40833
High Similarity 0.9632 NPC161506
High Similarity 0.9632 NPC265040
High Similarity 0.9632 NPC223500
High Similarity 0.9632 NPC1089
High Similarity 0.9632 NPC328164
High Similarity 0.9632 NPC64915
High Similarity 0.9632 NPC228504
High Similarity 0.9632 NPC177354
High Similarity 0.963 NPC284550
High Similarity 0.963 NPC182421
High Similarity 0.963 NPC76445
High Similarity 0.963 NPC129853
High Similarity 0.9627 NPC188947
High Similarity 0.9627 NPC280284
High Similarity 0.9627 NPC99333
High Similarity 0.9562 NPC143896
High Similarity 0.9562 NPC221432
High Similarity 0.9562 NPC91560
High Similarity 0.9562 NPC278249
High Similarity 0.9562 NPC478086
High Similarity 0.9562 NPC316816
High Similarity 0.9562 NPC223812
High Similarity 0.9562 NPC164980
High Similarity 0.9562 NPC39329
High Similarity 0.9562 NPC75049
High Similarity 0.9562 NPC214166
High Similarity 0.9562 NPC107177
High Similarity 0.9562 NPC310130
High Similarity 0.9562 NPC169591
High Similarity 0.9562 NPC68104
High Similarity 0.9562 NPC77794
High Similarity 0.9562 NPC81697
High Similarity 0.9562 NPC125894
High Similarity 0.9562 NPC185276
High Similarity 0.9562 NPC175504
High Similarity 0.9562 NPC257097
High Similarity 0.9562 NPC149026
High Similarity 0.9562 NPC85162
High Similarity 0.9562 NPC150408
High Similarity 0.9559 NPC96408
High Similarity 0.9559 NPC156190
High Similarity 0.9559 NPC279650
High Similarity 0.9559 NPC248372
High Similarity 0.9559 NPC166689
High Similarity 0.9559 NPC3188
High Similarity 0.9559 NPC110038
High Similarity 0.9559 NPC258630
High Similarity 0.9559 NPC17170
High Similarity 0.9545 NPC50898
High Similarity 0.9545 NPC274121
High Similarity 0.9545 NPC213216
High Similarity 0.9545 NPC78540
High Similarity 0.9493 NPC62290
High Similarity 0.9493 NPC236766
High Similarity 0.9493 NPC208176
High Similarity 0.9493 NPC473013
High Similarity 0.9493 NPC473015
High Similarity 0.9493 NPC131568
High Similarity 0.9493 NPC279417
High Similarity 0.9493 NPC470135
High Similarity 0.9493 NPC326506
High Similarity 0.9493 NPC235217
High Similarity 0.9493 NPC142731
High Similarity 0.9493 NPC209040
High Similarity 0.9493 NPC306607
High Similarity 0.9493 NPC131579
High Similarity 0.9493 NPC470136
High Similarity 0.9493 NPC39045
High Similarity 0.9493 NPC4152
High Similarity 0.9493 NPC473014
High Similarity 0.9493 NPC197252
High Similarity 0.9493 NPC49130
High Similarity 0.9489 NPC73028
High Similarity 0.9489 NPC202981
High Similarity 0.9481 NPC124269
High Similarity 0.9478 NPC29353
High Similarity 0.9478 NPC124784
High Similarity 0.9478 NPC194281
High Similarity 0.9478 NPC127447
High Similarity 0.9478 NPC231772
High Similarity 0.9478 NPC473887
High Similarity 0.9478 NPC234133
High Similarity 0.9478 NPC47815
High Similarity 0.9474 NPC172262
High Similarity 0.9424 NPC83357
High Similarity 0.9424 NPC142405
High Similarity 0.9424 NPC267375
High Similarity 0.9424 NPC20488
High Similarity 0.9424 NPC127059
High Similarity 0.9424 NPC285630
High Similarity 0.9424 NPC214774
High Similarity 0.9424 NPC470134
High Similarity 0.9424 NPC111786
High Similarity 0.9424 NPC67805
High Similarity 0.9424 NPC473078
High Similarity 0.9424 NPC176229
High Similarity 0.9424 NPC470131
High Similarity 0.9424 NPC195621
High Similarity 0.9424 NPC301276
High Similarity 0.9424 NPC470132
High Similarity 0.9424 NPC312973
High Similarity 0.9424 NPC472629
High Similarity 0.9424 NPC148011
High Similarity 0.9424 NPC88964
High Similarity 0.9424 NPC475052
High Similarity 0.9424 NPC1940
High Similarity 0.9424 NPC470647
High Similarity 0.9424 NPC470133
High Similarity 0.9424 NPC54577
High Similarity 0.9424 NPC109183
High Similarity 0.9424 NPC246948
High Similarity 0.942 NPC113770
High Similarity 0.9412 NPC18260
High Similarity 0.9412 NPC78913
High Similarity 0.9407 NPC250266
High Similarity 0.9407 NPC266597
High Similarity 0.9407 NPC188879
High Similarity 0.9403 NPC234560
High Similarity 0.9403 NPC39426
High Similarity 0.9403 NPC99854
High Similarity 0.9398 NPC57601
High Similarity 0.9394 NPC113006
High Similarity 0.9357 NPC3779
High Similarity 0.9357 NPC296998
High Similarity 0.9357 NPC476182
High Similarity 0.9357 NPC473077
High Similarity 0.9357 NPC23728
High Similarity 0.9357 NPC211466
High Similarity 0.9357 NPC300988
High Similarity 0.9357 NPC10990
High Similarity 0.9357 NPC472627
High Similarity 0.9357 NPC283234
High Similarity 0.9357 NPC40086
High Similarity 0.9357 NPC44721
High Similarity 0.9357 NPC176869
High Similarity 0.9357 NPC110303
High Similarity 0.9357 NPC122828
High Similarity 0.9353 NPC110776
High Similarity 0.9353 NPC303185
High Similarity 0.9353 NPC124780
High Similarity 0.9353 NPC311144

Drug Structure

External Identifiers

TTD   DNC011119
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   68071
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  256.07
ALogP  -1.3541
MLogP  2.67
XLogP  2.493
HDA  1
HBD  2
Rotatable Bonds  3
TPSA  66.76
RO5 Violation  0