Drug Information

Drug ID:  NPD920
Drug Name:  5-Methoxypsoralen; Bergapten
Molecular Formula:  C12H8O4
Canonical SMILES:  COc1c2ccc(=O)oc2cc2c1cco2
Standard InCHI:  InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
Standard InCHIKey:  BGEBZHIAGXMEMV-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD920

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 NPC304443
High Similarity 1.0 NPC74539
High Similarity 0.9859 NPC88445
High Similarity 0.979 NPC191104
High Similarity 0.9716 NPC246903
High Similarity 0.9577 NPC208584
High Similarity 0.9574 NPC166858
High Similarity 0.9574 NPC51146
High Similarity 0.9574 NPC313036
High Similarity 0.9524 NPC278010
High Similarity 0.9524 NPC250769
High Similarity 0.9524 NPC295608
High Similarity 0.9517 NPC155882
High Similarity 0.9514 NPC266743
High Similarity 0.951 NPC190572
High Similarity 0.9396 NPC269495
High Similarity 0.9396 NPC270044
High Similarity 0.9366 NPC254010
High Similarity 0.9362 NPC262635
High Similarity 0.9324 NPC131725
High Similarity 0.9272 NPC49009
High Similarity 0.9272 NPC169
High Similarity 0.9272 NPC239270
High Similarity 0.9272 NPC303210
High Similarity 0.9272 NPC95472
High Similarity 0.9252 NPC148423
High Similarity 0.9252 NPC135303
High Similarity 0.9211 NPC14822
High Similarity 0.9178 NPC198427
High Similarity 0.9161 NPC470856
High Similarity 0.915 NPC78612
High Similarity 0.915 NPC234536
High Similarity 0.9128 NPC130015
High Similarity 0.9128 NPC38361
High Similarity 0.9116 NPC306788
High Similarity 0.9091 NPC472515
High Similarity 0.9091 NPC179464
High Similarity 0.9079 NPC33320
High Similarity 0.9067 NPC41719
High Similarity 0.906 NPC98028
High Similarity 0.906 NPC472407
High Similarity 0.9021 NPC36414
High Similarity 0.902 NPC243509
High Similarity 0.9014 NPC472516
High Similarity 0.9007 NPC233776
High Similarity 0.9 NPC263676
High Similarity 0.8993 NPC472406
High Similarity 0.8974 NPC210460
High Similarity 0.8974 NPC193881
High Similarity 0.8974 NPC155264
High Similarity 0.8974 NPC67450
High Similarity 0.8961 NPC216092
High Similarity 0.8958 NPC136095
High Similarity 0.8951 NPC253616
High Similarity 0.8881 NPC268081
High Similarity 0.8881 NPC29638
High Similarity 0.8857 NPC472517
High Similarity 0.8844 NPC17262
High Similarity 0.8824 NPC247677
High Similarity 0.8824 NPC160015
High Similarity 0.8819 NPC103001
High Similarity 0.8808 NPC116604
High Similarity 0.8805 NPC144288
High Similarity 0.8805 NPC281835
High Similarity 0.88 NPC37226
High Similarity 0.88 NPC226644
High Similarity 0.8794 NPC175159
High Similarity 0.879 NPC173149
High Similarity 0.879 NPC179015
High Similarity 0.8774 NPC260296
High Similarity 0.8774 NPC115432
High Similarity 0.8766 NPC296957
High Similarity 0.8766 NPC260902
High Similarity 0.875 NPC253872
High Similarity 0.875 NPC67654
High Similarity 0.8718 NPC264293
High Similarity 0.871 NPC476350
High Similarity 0.871 NPC476349
High Similarity 0.871 NPC244750
High Similarity 0.8701 NPC470625
High Similarity 0.8699 NPC473209
High Similarity 0.8696 NPC233956
High Similarity 0.8696 NPC72455
High Similarity 0.8693 NPC122365
High Similarity 0.8693 NPC1477
High Similarity 0.8693 NPC213608
High Similarity 0.8684 NPC290671
High Similarity 0.8684 NPC156244
High Similarity 0.8684 NPC170169
High Similarity 0.8675 NPC317492
High Similarity 0.8675 NPC296030
High Similarity 0.8675 NPC39929
High Similarity 0.8671 NPC247743
High Similarity 0.8667 NPC130581
High Similarity 0.8667 NPC12148
High Similarity 0.8662 NPC193998
High Similarity 0.8658 NPC171656
High Similarity 0.8649 NPC53192
High Similarity 0.8645 NPC65504
High Similarity 0.8642 NPC224165
High Similarity 0.8642 NPC53917
High Similarity 0.8636 NPC473193
High Similarity 0.8636 NPC198490
High Similarity 0.8636 NPC474542
High Similarity 0.8627 NPC41326
High Similarity 0.8627 NPC5871
High Similarity 0.8621 NPC254741
High Similarity 0.8618 NPC78335
High Similarity 0.8618 NPC230713
High Similarity 0.8616 NPC323137
High Similarity 0.8611 NPC229128
High Similarity 0.8609 NPC135325
High Similarity 0.8609 NPC168085
High Similarity 0.8608 NPC15819
High Similarity 0.8608 NPC155640
High Similarity 0.8608 NPC65846
High Similarity 0.8601 NPC54503
High Similarity 0.8601 NPC229646
High Similarity 0.8601 NPC55147
High Similarity 0.86 NPC210826
High Similarity 0.86 NPC300267
High Similarity 0.86 NPC51641
High Similarity 0.8591 NPC225884
High Similarity 0.8591 NPC302181
High Similarity 0.8591 NPC184702
High Similarity 0.8589 NPC325176
High Similarity 0.8589 NPC107244
High Similarity 0.8581 NPC297985
High Similarity 0.8581 NPC19860
High Similarity 0.8571 NPC472462
High Similarity 0.8571 NPC51404
High Similarity 0.8571 NPC137009
High Similarity 0.8571 NPC183874
High Similarity 0.8562 NPC332594
High Similarity 0.8562 NPC38153
High Similarity 0.8562 NPC320789
High Similarity 0.8553 NPC164299
High Similarity 0.8553 NPC221868
High Similarity 0.8553 NPC259007
High Similarity 0.8553 NPC178202
High Similarity 0.8553 NPC37208
High Similarity 0.8553 NPC204088
High Similarity 0.8553 NPC329215
High Similarity 0.8543 NPC17816
High Similarity 0.8542 NPC292998
High Similarity 0.8533 NPC230943
High Similarity 0.8533 NPC155144
High Similarity 0.8533 NPC98926
High Similarity 0.8533 NPC294365
High Similarity 0.8533 NPC179970
High Similarity 0.8523 NPC162476
High Similarity 0.8516 NPC148938
High Similarity 0.8516 NPC279218
High Similarity 0.8516 NPC108937
High Similarity 0.8514 NPC28337
High Similarity 0.8509 NPC41853
High Similarity 0.8506 NPC271681
Intermediate Similarity 0.8497 NPC474735
Intermediate Similarity 0.8493 NPC161196
Intermediate Similarity 0.8487 NPC272194
Intermediate Similarity 0.8483 NPC66705
Intermediate Similarity 0.8481 NPC304387
Intermediate Similarity 0.8477 NPC470322
Intermediate Similarity 0.8477 NPC154217
Intermediate Similarity 0.8477 NPC473927
Intermediate Similarity 0.8472 NPC182428
Intermediate Similarity 0.8471 NPC40583
Intermediate Similarity 0.8467 NPC76657
Intermediate Similarity 0.8467 NPC470932
Intermediate Similarity 0.8462 NPC475797
Intermediate Similarity 0.8462 NPC474609
Intermediate Similarity 0.8462 NPC474738
Intermediate Similarity 0.8462 NPC13879
Intermediate Similarity 0.8462 NPC469936
Intermediate Similarity 0.8462 NPC78554
Intermediate Similarity 0.8462 NPC321372
Intermediate Similarity 0.8462 NPC109967
Intermediate Similarity 0.8462 NPC129053
Intermediate Similarity 0.8457 NPC120220
Intermediate Similarity 0.8456 NPC22467
Intermediate Similarity 0.8452 NPC473194
Intermediate Similarity 0.8452 NPC235333
Intermediate Similarity 0.8452 NPC186507
Intermediate Similarity 0.8447 NPC167479
Intermediate Similarity 0.8446 NPC473076
Intermediate Similarity 0.8446 NPC37206
Intermediate Similarity 0.8446 NPC11566
Intermediate Similarity 0.8442 NPC115324
Intermediate Similarity 0.8442 NPC318424
Intermediate Similarity 0.844 NPC49852
Intermediate Similarity 0.844 NPC475496
Intermediate Similarity 0.8438 NPC136641
Intermediate Similarity 0.8438 NPC38914
Intermediate Similarity 0.8435 NPC259685
Intermediate Similarity 0.8428 NPC219861
Intermediate Similarity 0.8425 NPC60667
Intermediate Similarity 0.8425 NPC46869
Intermediate Similarity 0.8421 NPC282335
Intermediate Similarity 0.8421 NPC471285
Intermediate Similarity 0.8421 NPC218300

Drug Structure

External Identifiers

TTD   DIB009853
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  216.04
ALogP  0.0641
MLogP  2.34
XLogP  1.69
HDA  1
HBD  0
Rotatable Bonds  2
TPSA  48.67
RO5 Violation  0