Drug Information

Drug ID:  NPD1547
Drug Name:  
Molecular Formula:  C15H12O2
Canonical SMILES:  O=C1CC(Oc2c1cccc2)c1ccccc1
Standard InCHI:  InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
Standard InCHIKey:  ZONYXWQDUYMKFB-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1547

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 NPC314329
High Similarity 0.9737 NPC35744
High Similarity 0.9478 NPC32298
High Similarity 0.9397 NPC201284
High Similarity 0.9397 NPC54243
High Similarity 0.9113 NPC228184
High Similarity 0.9043 NPC279916
High Similarity 0.9016 NPC2771
High Similarity 0.9008 NPC93730
High Similarity 0.8952 NPC125887
High Similarity 0.8934 NPC193805
High Similarity 0.8871 NPC298884
High Similarity 0.8862 NPC224657
High Similarity 0.881 NPC278787
High Similarity 0.879 NPC474264
High Similarity 0.874 NPC301717
High Similarity 0.874 NPC141549
High Similarity 0.872 NPC22783
High Similarity 0.872 NPC41721
High Similarity 0.8718 NPC53953
High Similarity 0.8702 NPC476480
High Similarity 0.8702 NPC84585
High Similarity 0.8692 NPC99854
High Similarity 0.8678 NPC246214
High Similarity 0.8667 NPC171023
High Similarity 0.8651 NPC196034
High Similarity 0.864 NPC237868
High Similarity 0.8636 NPC147686
High Similarity 0.8636 NPC329225
High Similarity 0.8636 NPC472460
High Similarity 0.8629 NPC107846
High Similarity 0.8629 NPC56332
High Similarity 0.8615 NPC125269
High Similarity 0.8605 NPC287533
High Similarity 0.8583 NPC45104
High Similarity 0.8583 NPC217423
High Similarity 0.8571 NPC11566
High Similarity 0.8561 NPC32441
High Similarity 0.8561 NPC259685
High Similarity 0.8561 NPC296490
High Similarity 0.8561 NPC12296
High Similarity 0.8561 NPC243083
High Similarity 0.8561 NPC287246
High Similarity 0.8561 NPC295261
High Similarity 0.8561 NPC13768
High Similarity 0.8561 NPC107586
High Similarity 0.8561 NPC79943
High Similarity 0.8548 NPC141252
High Similarity 0.8548 NPC11799
High Similarity 0.8548 NPC472888
High Similarity 0.8538 NPC292998
High Similarity 0.8527 NPC284424
High Similarity 0.8525 NPC230951
High Similarity 0.8516 NPC7569
High Similarity 0.8512 NPC206007
High Similarity 0.8507 NPC472409
High Similarity 0.85 NPC316062
Intermediate Similarity 0.8485 NPC254741
Intermediate Similarity 0.8438 NPC473019
Intermediate Similarity 0.8438 NPC197425
Intermediate Similarity 0.8433 NPC150648
Intermediate Similarity 0.8433 NPC274784
Intermediate Similarity 0.8433 NPC225153
Intermediate Similarity 0.8433 NPC222342
Intermediate Similarity 0.8433 NPC310135
Intermediate Similarity 0.8433 NPC20709
Intermediate Similarity 0.8433 NPC329203
Intermediate Similarity 0.8433 NPC265871
Intermediate Similarity 0.8433 NPC261234
Intermediate Similarity 0.843 NPC469954
Intermediate Similarity 0.8421 NPC275055
Intermediate Similarity 0.8421 NPC290291
Intermediate Similarity 0.8417 NPC188907
Intermediate Similarity 0.8413 NPC470858
Intermediate Similarity 0.8413 NPC4164
Intermediate Similarity 0.8409 NPC9985
Intermediate Similarity 0.8409 NPC239495
Intermediate Similarity 0.8385 NPC474340
Intermediate Similarity 0.8385 NPC278556
Intermediate Similarity 0.8382 NPC147145
Intermediate Similarity 0.8374 NPC470092
Intermediate Similarity 0.8372 NPC115998
Intermediate Similarity 0.8372 NPC39753
Intermediate Similarity 0.837 NPC110228
Intermediate Similarity 0.837 NPC6407
Intermediate Similarity 0.837 NPC188243
Intermediate Similarity 0.8361 NPC152159
Intermediate Similarity 0.8358 NPC188947
Intermediate Similarity 0.8358 NPC280284
Intermediate Similarity 0.8358 NPC118813
Intermediate Similarity 0.8358 NPC99333
Intermediate Similarity 0.8321 NPC68104
Intermediate Similarity 0.8321 NPC150408
Intermediate Similarity 0.8321 NPC91560
Intermediate Similarity 0.8321 NPC221432
Intermediate Similarity 0.8321 NPC310130
Intermediate Similarity 0.8321 NPC182428
Intermediate Similarity 0.8321 NPC59522
Intermediate Similarity 0.8321 NPC257097
Intermediate Similarity 0.8321 NPC143896
Intermediate Similarity 0.8321 NPC169591
Intermediate Similarity 0.8321 NPC75049
Intermediate Similarity 0.8321 NPC473655
Intermediate Similarity 0.8321 NPC175504
Intermediate Similarity 0.8321 NPC39329
Intermediate Similarity 0.8321 NPC164980
Intermediate Similarity 0.8321 NPC149026
Intermediate Similarity 0.8321 NPC101294
Intermediate Similarity 0.8309 NPC324386
Intermediate Similarity 0.8309 NPC213322
Intermediate Similarity 0.8309 NPC3188
Intermediate Similarity 0.8309 NPC312391
Intermediate Similarity 0.8309 NPC22467
Intermediate Similarity 0.8309 NPC4743
Intermediate Similarity 0.8308 NPC137264
Intermediate Similarity 0.8308 NPC11173
Intermediate Similarity 0.8296 NPC316480
Intermediate Similarity 0.8296 NPC140890
Intermediate Similarity 0.8296 NPC136095
Intermediate Similarity 0.8295 NPC57552
Intermediate Similarity 0.8281 NPC470841
Intermediate Similarity 0.8271 NPC77955
Intermediate Similarity 0.8261 NPC473013
Intermediate Similarity 0.8261 NPC469764
Intermediate Similarity 0.8261 NPC197252
Intermediate Similarity 0.8261 NPC473015
Intermediate Similarity 0.8261 NPC209040
Intermediate Similarity 0.8261 NPC236766
Intermediate Similarity 0.8258 NPC223354
Intermediate Similarity 0.8258 NPC57601
Intermediate Similarity 0.8254 NPC182646
Intermediate Similarity 0.8248 NPC66515
Intermediate Similarity 0.8248 NPC167624
Intermediate Similarity 0.8248 NPC76372
Intermediate Similarity 0.8248 NPC324436
Intermediate Similarity 0.8248 NPC40833
Intermediate Similarity 0.8248 NPC324134
Intermediate Similarity 0.8248 NPC37496
Intermediate Similarity 0.8248 NPC1089
Intermediate Similarity 0.8248 NPC228504
Intermediate Similarity 0.8248 NPC202981
Intermediate Similarity 0.8248 NPC328164
Intermediate Similarity 0.8248 NPC76338
Intermediate Similarity 0.8248 NPC148757
Intermediate Similarity 0.8248 NPC177354
Intermediate Similarity 0.8248 NPC166934
Intermediate Similarity 0.8248 NPC64915
Intermediate Similarity 0.8248 NPC220998
Intermediate Similarity 0.8248 NPC125855
Intermediate Similarity 0.8248 NPC296917
Intermediate Similarity 0.8248 NPC32739
Intermediate Similarity 0.8248 NPC194432
Intermediate Similarity 0.8248 NPC10937
Intermediate Similarity 0.8248 NPC306829
Intermediate Similarity 0.8248 NPC265040
Intermediate Similarity 0.8248 NPC107572
Intermediate Similarity 0.8248 NPC161506
Intermediate Similarity 0.8248 NPC227579
Intermediate Similarity 0.8248 NPC223500
Intermediate Similarity 0.8248 NPC78
Intermediate Similarity 0.8248 NPC166482
Intermediate Similarity 0.8248 NPC182852
Intermediate Similarity 0.8244 NPC113006
Intermediate Similarity 0.8235 NPC145673
Intermediate Similarity 0.8235 NPC129853
Intermediate Similarity 0.8235 NPC182421
Intermediate Similarity 0.8235 NPC76445
Intermediate Similarity 0.8235 NPC284550
Intermediate Similarity 0.8235 NPC23332
Intermediate Similarity 0.8235 NPC171094
Intermediate Similarity 0.8226 NPC233282
Intermediate Similarity 0.8222 NPC124269
Intermediate Similarity 0.8222 NPC18457
Intermediate Similarity 0.8217 NPC475017
Intermediate Similarity 0.8209 NPC240593
Intermediate Similarity 0.8209 NPC161196
Intermediate Similarity 0.8201 NPC148011
Intermediate Similarity 0.8201 NPC1940
Intermediate Similarity 0.8201 NPC469758
Intermediate Similarity 0.8195 NPC172262
Intermediate Similarity 0.8195 NPC66705
Intermediate Similarity 0.8188 NPC185276
Intermediate Similarity 0.8188 NPC278249
Intermediate Similarity 0.8188 NPC81697
Intermediate Similarity 0.8188 NPC77794
Intermediate Similarity 0.8188 NPC316816
Intermediate Similarity 0.8188 NPC125894
Intermediate Similarity 0.8188 NPC85162
Intermediate Similarity 0.8188 NPC223812
Intermediate Similarity 0.8188 NPC107177
Intermediate Similarity 0.8188 NPC478086
Intermediate Similarity 0.8188 NPC214166
Intermediate Similarity 0.8182 NPC252004
Intermediate Similarity 0.8182 NPC229646
Intermediate Similarity 0.8182 NPC128216
Intermediate Similarity 0.8175 NPC279650
Intermediate Similarity 0.8175 NPC17170
Intermediate Similarity 0.8175 NPC258630
Intermediate Similarity 0.8175 NPC96408
Intermediate Similarity 0.8175 NPC110038

Drug Structure

External Identifiers

TTD   DNC000651
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   10251
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  224.08
ALogP  -0.4335
MLogP  2.89
XLogP  4.63
HDA  1
HBD  0
Rotatable Bonds  1
TPSA  26.3
RO5 Violation  0