Drug Information

Drug ID:  NPD2487
Drug Name:  
Molecular Formula:  C17H19NO
Canonical SMILES:  OC(=NCCc1cccc2c1cccc2)C1CCC1
Standard InCHI:  InChI=1S/C17H19NO/c19-17(15-8-4-9-15)18-12-11-14-7-3-6-13-5-1-2-10-16(13)14/h1-3,5-7,10,15H,4,8-9,11-12H2,(H,18,19)
Standard InCHIKey:  GLXSBZGTGMPDKH-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2487

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
Intermediate Similarity 0.8125 NPC172128
Intermediate Similarity 0.8085 NPC203076
Intermediate Similarity 0.8021 NPC470877
Intermediate Similarity 0.8 NPC311242
Intermediate Similarity 0.8 NPC471638
Intermediate Similarity 0.7938 NPC209764
Intermediate Similarity 0.7938 NPC78041
Intermediate Similarity 0.7938 NPC141139
Intermediate Similarity 0.7938 NPC121872
Intermediate Similarity 0.7938 NPC74936
Intermediate Similarity 0.7938 NPC159178
Intermediate Similarity 0.7938 NPC471307
Intermediate Similarity 0.7917 NPC12429
Intermediate Similarity 0.78 NPC303045
Intermediate Similarity 0.78 NPC161972
Intermediate Similarity 0.7767 NPC469457
Intermediate Similarity 0.7755 NPC316108
Intermediate Similarity 0.7723 NPC25565
Intermediate Similarity 0.77 NPC471309
Intermediate Similarity 0.7677 NPC226438
Intermediate Similarity 0.7647 NPC473501
Intermediate Similarity 0.7647 NPC475439
Intermediate Similarity 0.7624 NPC58674
Intermediate Similarity 0.75 NPC245259
Intermediate Similarity 0.7476 NPC33168
Intermediate Similarity 0.7474 NPC14326
Intermediate Similarity 0.7449 NPC473031
Intermediate Similarity 0.7407 NPC191215
Intermediate Similarity 0.7407 NPC274089
Intermediate Similarity 0.7315 NPC211551
Intermediate Similarity 0.7222 NPC88267
Intermediate Similarity 0.7222 NPC224610
Intermediate Similarity 0.7222 NPC113326
Intermediate Similarity 0.7222 NPC194390
Intermediate Similarity 0.72 NPC325441
Intermediate Similarity 0.7156 NPC474559
Intermediate Similarity 0.7143 NPC319579
Intermediate Similarity 0.713 NPC471317
Intermediate Similarity 0.713 NPC202613
Intermediate Similarity 0.713 NPC471310
Intermediate Similarity 0.7117 NPC96224
Intermediate Similarity 0.7117 NPC24101
Intermediate Similarity 0.71 NPC60408
Intermediate Similarity 0.7083 NPC192623
Intermediate Similarity 0.7071 NPC3210
Intermediate Similarity 0.7059 NPC258627
Remote Similarity 0.6991 NPC474149
Remote Similarity 0.699 NPC220596
Remote Similarity 0.6961 NPC199567
Remote Similarity 0.6937 NPC327481
Remote Similarity 0.6937 NPC231705
Remote Similarity 0.6923 NPC246822
Remote Similarity 0.6923 NPC470544
Remote Similarity 0.6923 NPC139416
Remote Similarity 0.6923 NPC213570
Remote Similarity 0.6907 NPC164449
Remote Similarity 0.6907 NPC184030
Remote Similarity 0.6882 NPC244738
Remote Similarity 0.6882 NPC54269
Remote Similarity 0.6864 NPC470545
Remote Similarity 0.6852 NPC12730
Remote Similarity 0.6848 NPC251490
Remote Similarity 0.6827 NPC470926
Remote Similarity 0.6814 NPC153690
Remote Similarity 0.6807 NPC470546
Remote Similarity 0.6804 NPC159661
Remote Similarity 0.68 NPC133162
Remote Similarity 0.678 NPC82963
Remote Similarity 0.6777 NPC273830
Remote Similarity 0.6774 NPC39799
Remote Similarity 0.6774 NPC135433
Remote Similarity 0.6774 NPC226999
Remote Similarity 0.6774 NPC87099
Remote Similarity 0.6774 NPC1008
Remote Similarity 0.6774 NPC158028
Remote Similarity 0.6774 NPC280135
Remote Similarity 0.6774 NPC193578
Remote Similarity 0.6772 NPC246913
Remote Similarity 0.6768 NPC73637
Remote Similarity 0.6768 NPC121478
Remote Similarity 0.6765 NPC198747
Remote Similarity 0.6762 NPC128645
Remote Similarity 0.6754 NPC258056
Remote Similarity 0.6727 NPC318154
Remote Similarity 0.6727 NPC239854
Remote Similarity 0.6726 NPC142297
Remote Similarity 0.6724 NPC474584
Remote Similarity 0.6723 NPC38458
Remote Similarity 0.6723 NPC311737
Remote Similarity 0.6721 NPC109151
Remote Similarity 0.6702 NPC1901
Remote Similarity 0.6694 NPC477061
Remote Similarity 0.6694 NPC45777
Remote Similarity 0.6667 NPC242628
Remote Similarity 0.6667 NPC291066
Remote Similarity 0.6667 NPC178902
Remote Similarity 0.6667 NPC164859
Remote Similarity 0.6667 NPC472415
Remote Similarity 0.6667 NPC324602
Remote Similarity 0.6667 NPC72670
Remote Similarity 0.6639 NPC71684
Remote Similarity 0.6637 NPC45033
Remote Similarity 0.6636 NPC329430
Remote Similarity 0.6636 NPC108339
Remote Similarity 0.6636 NPC172925
Remote Similarity 0.6634 NPC267704
Remote Similarity 0.6632 NPC96835
Remote Similarity 0.6632 NPC258492
Remote Similarity 0.6612 NPC268572
Remote Similarity 0.661 NPC118202
Remote Similarity 0.661 NPC33742
Remote Similarity 0.6604 NPC265521
Remote Similarity 0.66 NPC475199
Remote Similarity 0.66 NPC283012
Remote Similarity 0.6598 NPC249018
Remote Similarity 0.6598 NPC3190
Remote Similarity 0.6583 NPC283468
Remote Similarity 0.6571 NPC26224
Remote Similarity 0.6569 NPC99482
Remote Similarity 0.6566 NPC315216
Remote Similarity 0.6562 NPC307195
Remote Similarity 0.656 NPC472414
Remote Similarity 0.6556 NPC113670
Remote Similarity 0.6555 NPC317254
Remote Similarity 0.6555 NPC188010
Remote Similarity 0.6538 NPC262393
Remote Similarity 0.6535 NPC477770
Remote Similarity 0.6535 NPC119677
Remote Similarity 0.6535 NPC104070
Remote Similarity 0.6535 NPC295478
Remote Similarity 0.6532 NPC35996
Remote Similarity 0.6532 NPC471315
Remote Similarity 0.6532 NPC471314
Remote Similarity 0.6531 NPC224544
Remote Similarity 0.6531 NPC245896
Remote Similarity 0.6531 NPC66270
Remote Similarity 0.6531 NPC255345
Remote Similarity 0.6529 NPC122009
Remote Similarity 0.6529 NPC310467
Remote Similarity 0.6525 NPC35850
Remote Similarity 0.6525 NPC276949
Remote Similarity 0.6508 NPC278097
Remote Similarity 0.6496 NPC329011
Remote Similarity 0.6491 NPC474804
Remote Similarity 0.6491 NPC130898
Remote Similarity 0.6491 NPC474973
Remote Similarity 0.6489 NPC229235
Remote Similarity 0.6489 NPC263385
Remote Similarity 0.6486 NPC128248
Remote Similarity 0.6486 NPC225079
Remote Similarity 0.6486 NPC136810
Remote Similarity 0.6486 NPC133809
Remote Similarity 0.6484 NPC155172
Remote Similarity 0.6484 NPC32312
Remote Similarity 0.6475 NPC43275
Remote Similarity 0.6471 NPC205652
Remote Similarity 0.6471 NPC471318
Remote Similarity 0.6471 NPC169016
Remote Similarity 0.6466 NPC65855
Remote Similarity 0.6466 NPC292758
Remote Similarity 0.646 NPC275467
Remote Similarity 0.6458 NPC299134
Remote Similarity 0.6449 NPC314690
Remote Similarity 0.6446 NPC254088
Remote Similarity 0.6446 NPC169328
Remote Similarity 0.6444 NPC22786
Remote Similarity 0.6444 NPC71009
Remote Similarity 0.6434 NPC183722
Remote Similarity 0.6429 NPC47667
Remote Similarity 0.6423 NPC478014
Remote Similarity 0.6423 NPC80150
Remote Similarity 0.6423 NPC478015
Remote Similarity 0.6423 NPC478016
Remote Similarity 0.6422 NPC471320
Remote Similarity 0.6422 NPC3371
Remote Similarity 0.6422 NPC471319
Remote Similarity 0.6421 NPC208302
Remote Similarity 0.6415 NPC78154
Remote Similarity 0.6406 NPC472413
Remote Similarity 0.6406 NPC116057
Remote Similarity 0.6406 NPC71271
Remote Similarity 0.6404 NPC143516
Remote Similarity 0.64 NPC50063
Remote Similarity 0.6393 NPC314992
Remote Similarity 0.6393 NPC237420
Remote Similarity 0.6392 NPC276699
Remote Similarity 0.6392 NPC189371
Remote Similarity 0.6387 NPC1986
Remote Similarity 0.6387 NPC474544
Remote Similarity 0.6385 NPC42423
Remote Similarity 0.6378 NPC477937
Remote Similarity 0.6374 NPC45756
Remote Similarity 0.6372 NPC178681
Remote Similarity 0.6372 NPC19856
Remote Similarity 0.6364 NPC14672
Remote Similarity 0.6364 NPC2265
Remote Similarity 0.6364 NPC285926
Remote Similarity 0.6364 NPC315276
Remote Similarity 0.6348 NPC473498
Remote Similarity 0.6346 NPC258046

Drug Structure

External Identifiers

TTD   DIB000570
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   127856
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  253.15
ALogP  0.0399
MLogP  3.11
XLogP  6.467
HDA  2
HBD  1
Rotatable Bonds  5
TPSA  32.59
RO5 Violation  1