Drug Information

Drug ID:  NPD1298
Drug Name:  brofaromine
Molecular Formula:  C14H16BrNO2
Canonical SMILES:  COc1cc2cc(oc2c(c1)Br)C1CCNCC1
Standard InCHI:  InChI=1S/C14H16BrNO2/c1-17-11-6-10-7-13(9-2-4-16-5-3-9)18-14(10)12(15)8-11/h6-9,16H,2-5H2,1H3
Standard InCHIKey:  WZXHSWVDAYOFPE-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1298

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
Remote Similarity 0.6807 NPC224657
Remote Similarity 0.6798 NPC98926
Remote Similarity 0.678 NPC469978
Remote Similarity 0.6776 NPC476443
Remote Similarity 0.6776 NPC133817
Remote Similarity 0.6744 NPC265793
Remote Similarity 0.6737 NPC227683
Remote Similarity 0.6722 NPC17816
Remote Similarity 0.6686 NPC233707
Remote Similarity 0.6686 NPC62735
Remote Similarity 0.6685 NPC84721
Remote Similarity 0.6685 NPC290927
Remote Similarity 0.6684 NPC121400
Remote Similarity 0.6667 NPC26353
Remote Similarity 0.6667 NPC106372
Remote Similarity 0.6667 NPC278832
Remote Similarity 0.6667 NPC178097
Remote Similarity 0.6667 NPC170169
Remote Similarity 0.6667 NPC58668
Remote Similarity 0.6667 NPC163029
Remote Similarity 0.6667 NPC64157
Remote Similarity 0.6649 NPC129578
Remote Similarity 0.6649 NPC233776
Remote Similarity 0.6648 NPC469642
Remote Similarity 0.6648 NPC178202
Remote Similarity 0.6648 NPC112757
Remote Similarity 0.6647 NPC209858
Remote Similarity 0.6633 NPC64066
Remote Similarity 0.663 NPC470088
Remote Similarity 0.663 NPC60211
Remote Similarity 0.663 NPC207624
Remote Similarity 0.6629 NPC27220
Remote Similarity 0.6629 NPC29638
Remote Similarity 0.6629 NPC130976
Remote Similarity 0.6627 NPC298884
Remote Similarity 0.6618 NPC157958
Remote Similarity 0.6613 NPC261484
Remote Similarity 0.6613 NPC45131
Remote Similarity 0.6612 NPC78335
Remote Similarity 0.6612 NPC230713
Remote Similarity 0.6612 NPC472406
Remote Similarity 0.6612 NPC167576
Remote Similarity 0.6611 NPC155144
Remote Similarity 0.6607 NPC470858
Remote Similarity 0.6598 NPC309692
Remote Similarity 0.6595 NPC183874
Remote Similarity 0.6593 NPC63256
Remote Similarity 0.6593 NPC10304
Remote Similarity 0.6592 NPC313036
Remote Similarity 0.6591 NPC98395
Remote Similarity 0.6588 NPC196034
Remote Similarity 0.6576 NPC193976
Remote Similarity 0.6576 NPC135103
Remote Similarity 0.6576 NPC23668
Remote Similarity 0.6576 NPC115324
Remote Similarity 0.6576 NPC149085
Remote Similarity 0.6575 NPC190572
Remote Similarity 0.6575 NPC231013
Remote Similarity 0.6573 NPC145673
Remote Similarity 0.657 NPC279596
Remote Similarity 0.6561 NPC269117
Remote Similarity 0.6561 NPC35345
Remote Similarity 0.6559 NPC3273
Remote Similarity 0.6559 NPC268008
Remote Similarity 0.6559 NPC148938
Remote Similarity 0.6559 NPC473193
Remote Similarity 0.6559 NPC198490
Remote Similarity 0.6557 NPC238366
Remote Similarity 0.6557 NPC37226
Remote Similarity 0.6557 NPC266499
Remote Similarity 0.6557 NPC226644
Remote Similarity 0.6556 NPC17262
Remote Similarity 0.6556 NPC296085
Remote Similarity 0.6554 NPC475012
Remote Similarity 0.6552 NPC324117
Remote Similarity 0.6545 NPC246214
Remote Similarity 0.6545 NPC37183
Remote Similarity 0.6545 NPC90245
Remote Similarity 0.6543 NPC196879
Remote Similarity 0.6543 NPC16935
Remote Similarity 0.6541 NPC5871
Remote Similarity 0.6541 NPC130015
Remote Similarity 0.6541 NPC38361
Remote Similarity 0.6541 NPC142308
Remote Similarity 0.6541 NPC125300
Remote Similarity 0.6538 NPC113428
Remote Similarity 0.6538 NPC198427
Remote Similarity 0.6538 NPC469539
Remote Similarity 0.6538 NPC469540
Remote Similarity 0.6538 NPC61284
Remote Similarity 0.6538 NPC150215
Remote Similarity 0.6536 NPC254010
Remote Similarity 0.6535 NPC174783
Remote Similarity 0.6534 NPC128877
Remote Similarity 0.6532 NPC118253
Remote Similarity 0.6526 NPC312056
Remote Similarity 0.6526 NPC84515
Remote Similarity 0.6524 NPC305490
Remote Similarity 0.6524 NPC180924
Remote Similarity 0.6522 NPC191104
Remote Similarity 0.6522 NPC13282
Remote Similarity 0.6519 NPC208584
Remote Similarity 0.6517 NPC262635
Remote Similarity 0.6517 NPC308571
Remote Similarity 0.6517 NPC908
Remote Similarity 0.6517 NPC138438
Remote Similarity 0.6512 NPC278787
Remote Similarity 0.651 NPC277480
Remote Similarity 0.6508 NPC139876
Remote Similarity 0.6508 NPC298093
Remote Similarity 0.6505 NPC473194
Remote Similarity 0.6505 NPC213608
Remote Similarity 0.6505 NPC72370
Remote Similarity 0.6505 NPC244371
Remote Similarity 0.6505 NPC472462
Remote Similarity 0.6505 NPC1477
Remote Similarity 0.6505 NPC235333
Remote Similarity 0.6503 NPC186397
Remote Similarity 0.6503 NPC469711
Remote Similarity 0.6503 NPC37135
Remote Similarity 0.6502 NPC204580
Remote Similarity 0.65 NPC53192
Remote Similarity 0.65 NPC169479
Remote Similarity 0.65 NPC159855
Remote Similarity 0.65 NPC158871
Remote Similarity 0.6495 NPC190351
Remote Similarity 0.6492 NPC65846
Remote Similarity 0.6492 NPC133065
Remote Similarity 0.6492 NPC477255
Remote Similarity 0.6491 NPC50583
Remote Similarity 0.649 NPC126211
Remote Similarity 0.6489 NPC164110
Remote Similarity 0.6489 NPC196448
Remote Similarity 0.6489 NPC96342
Remote Similarity 0.6489 NPC76458
Remote Similarity 0.6489 NPC258644
Remote Similarity 0.6489 NPC82733
Remote Similarity 0.6489 NPC246647
Remote Similarity 0.6489 NPC212967
Remote Similarity 0.6488 NPC141252
Remote Similarity 0.6488 NPC11799
Remote Similarity 0.6484 NPC308799
Remote Similarity 0.6484 NPC300267
Remote Similarity 0.6484 NPC51641
Remote Similarity 0.648 NPC171094
Remote Similarity 0.6477 NPC470566
Remote Similarity 0.6477 NPC472894
Remote Similarity 0.6477 NPC471316
Remote Similarity 0.6474 NPC158078
Remote Similarity 0.6474 NPC301717
Remote Similarity 0.6474 NPC188486
Remote Similarity 0.6474 NPC141549
Remote Similarity 0.6474 NPC30655
Remote Similarity 0.6474 NPC45124
Remote Similarity 0.6474 NPC74854
Remote Similarity 0.6474 NPC24761
Remote Similarity 0.6474 NPC264293
Remote Similarity 0.6471 NPC297531
Remote Similarity 0.6471 NPC213936
Remote Similarity 0.6471 NPC83019
Remote Similarity 0.6471 NPC99199
Remote Similarity 0.6467 NPC88445
Remote Similarity 0.6467 NPC223988
Remote Similarity 0.6464 NPC302181
Remote Similarity 0.6464 NPC71629
Remote Similarity 0.6462 NPC35680
Remote Similarity 0.6461 NPC18457
Remote Similarity 0.6458 NPC39306
Remote Similarity 0.6458 NPC291110
Remote Similarity 0.6458 NPC36320
Remote Similarity 0.6457 NPC247743
Remote Similarity 0.6455 NPC153631
Remote Similarity 0.6455 NPC471541
Remote Similarity 0.6455 NPC40583
Remote Similarity 0.6455 NPC15764
Remote Similarity 0.6455 NPC250076
Remote Similarity 0.6455 NPC226287
Remote Similarity 0.6455 NPC472299
Remote Similarity 0.6452 NPC253872
Remote Similarity 0.6452 NPC294870
Remote Similarity 0.645 NPC469437
Remote Similarity 0.6448 NPC12148
Remote Similarity 0.6448 NPC130581
Remote Similarity 0.6448 NPC205522
Remote Similarity 0.6448 NPC74539
Remote Similarity 0.6448 NPC304443
Remote Similarity 0.6443 NPC470567
Remote Similarity 0.6443 NPC329992
Remote Similarity 0.6441 NPC40321
Remote Similarity 0.6437 NPC470859
Remote Similarity 0.6436 NPC227953
Remote Similarity 0.6436 NPC261090
Remote Similarity 0.6432 NPC148423
Remote Similarity 0.6432 NPC179183
Remote Similarity 0.6432 NPC214629
Remote Similarity 0.6432 NPC135303
Remote Similarity 0.6429 NPC246903
Remote Similarity 0.6429 NPC230943
Remote Similarity 0.6425 NPC67346
Remote Similarity 0.6425 NPC67450

Drug Structure

External Identifiers

TTD   DIB009881
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  309.04
ALogP  -0.5964
MLogP  2.56
XLogP  2.851
HDA  1
HBD  1
Rotatable Bonds  4
TPSA  34.4
RO5 Violation  0